SCHEMBL5182575

SCHEMBL5182575

Brc1[c]cccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
BACE1 P56817 2/20 0.36
DPP4 P27487 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
BCAT2 O15382 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1431628 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1HSD17B10HPGDCYP2A6
SCHEMBL5584043 0.83 LMNA (0.31) ALDH1A1MAPK1
SCHEMBL11746658 0.81 CYP1A2 (0.38) ALDH1A1HSD17B10CYP2A6CASP3SENP8
SCHEMBL9567440 0.81 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL9321438 0.81 PTGS2 (0.38) ALDH1A1MAPK1HPGDPTGS2L3MBTL1
SCHEMBL7818368 0.81 RAB9A (0.38) ALDH1A1MAPK1HPGDTDP1TP53
SCHEMBL5745205 0.79 MAOB (0.37) ALDH1A1MAPK1HSD17B10HPGDTP53
SCHEMBL185890 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1HSD17B10HPGDBCL2L1
SCHEMBL457363 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10HPGDTDP1
SCHEMBL11512521 0.77 MAP4K4 (0.46) ALDH1A1HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP claimed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO claimed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US claimed
US-4038404-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-5358966-A Using n,n'-diacylhydrazine ROHM AND HAAS COMPANY (US) 1994-10-25 US disclosed
US-4623583-A Flame retardant textile fabrics WHITE CHEMICAL CORPORATION (US) 1986-11-18 US disclosed
US-4348306-A Flame retardants WHITE CHEMICAL CORPORATION (US) 1982-09-07 US disclosed
US-4267117-A INTERMEDIATES FOR 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1981-05-12 US disclosed
US-4206131-A 1A-HYDROXYLATED CALCIFEROLS THE UPJOHN COMPANY (US) 1980-06-03 US disclosed
US-4158077-A ORGANIC BROMINATED COMPOUND WHITE CHEMICAL CORPORATION (US) 1979-06-12 US disclosed
US-4120798-A ORGANIC BROMINATED COMPOUND OF VERY SMALL SIZE, AQUEOUS SUSPENDING MEDIUM, PROTECTIVE COLLOID WHITE CHEMICAL CORPORATION (US) 1978-10-17 US disclosed
US-4060623-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4038406-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4038404-A 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4036967-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4036966-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4002763-A 1,2,4-Triazole antimycotic compositions and use thereof BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed
US-3974310-A Flame retardants for synthetic materials (I) WHITE CHEMICAL CORPORATION (US) 1976-08-10 US disclosed