SCHEMBL9010904

SCHEMBL9010904

CC(C)(NC(=O)c1cccs1)C(=O)C(Br)Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
HDAC1 Q13547 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
AR P10275 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL4043837 0.79 MEN1 (0.68) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL9010814 0.77 TSHR (0.56) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL3240216 0.75 TSHR (0.58) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL29032333 0.74 AR (0.60) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL30433221 0.73 TSHR (0.59) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL9010792 0.73 TSHR (0.55) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL9082843 0.72 HPGD (0.48) ALDH1A1HTTSMN1; SMN2KDM4ELMNA
SCHEMBL29528205 0.72 CTSC (0.56) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL3229709 0.72 TSHR (0.58) TSHRHDAC1ALDH1A1MEN1KMT2A
SCHEMBL3127881 0.72 HDAC1 (0.62) TSHRHDAC1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547984-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1996-08-20 US disclosed
US-5529978-A FUNGICIDE ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
US-5344978-A Fungicides ROHM AND HAAS COMPANY (US) 1994-09-06 US disclosed
US-5196046-A N-acetonyl-substituted-amides ROHM AND HAAS COMPANY (US) 1993-03-23 US disclosed
EP-0170498-B1 N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI ROHM AND HAAS COMPANY (US) 1991-09-11 EP disclosed
US-4863940-A N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof ROHM AND HAAS (US) 1989-09-05 US disclosed
EP-0170498-A2 N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi ROHM AND HAAS COMPANY (US) 1986-02-05 EP disclosed