SCHEMBL11430580

SCHEMBL11430580

COc1ccc2c(c1)CCc1c(cccc1C(=O)Cl)S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ BCHE P06276 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ACHE P22303 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL11441150 0.89 KDM4E (0.43) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11438923 0.84 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2MAPTMEN1
SCHEMBL11442744 0.82 NOX1 (0.42) TAS1R3TAS1R1TAS1R2MAPTMEN1
SCHEMBL11442019 0.76 SMN1; SMN2 (0.41) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11434292 0.76 NOX1 (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL11427407 0.73 GAA (0.39) RAB9ANPC1GAAL3MBTL1
SCHEMBL11430646 0.72 ITGB3 (0.35) RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL11427495 0.70 ALDH1A1 (0.42) MAPTALDH1A1HSD17B10LMNAGAA
SCHEMBL28310012 0.70 ALDH1A1 (0.44) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL11435848 0.69 CXCR5 (0.40) MAPTALDH1A1KDM4EHPGDCXCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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