SCHEMBL9635252

SCHEMBL9635252

CC1CSc2ccccc2C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CDC7 O00311 1/20 0.35
TNKS2 Q9H2K2 3/20 0.35
BRD4 O60885 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CREBBP Q92793 2/20 0.35

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
SCHEMBL12240334 0.79 KDM4E (0.45) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL9635275 0.78 TSHR (0.37) TSHRL3MBTL1ALDH1A1HPGDMEN1
SCHEMBL29624092 0.76 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL9636467 0.74 POLB (0.40) TSHRL3MBTL1ALDH1A1HPGDMEN1
SCHEMBL14048753 0.74 MEN1 (0.56) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL1708834 0.73 TSHR (0.44) TSHRL3MBTL1ALDH1A1HPGDPOLB
SCHEMBL10723275 0.73 ACHE (0.48) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL9143961 0.71 ALDH1A1 (0.41) TSHRALDH1A1HPGDPOLBMAPT
SCHEMBL12203700 0.69 TSHR (1.00) TSHRMEN1KMT2AMAPTBRD4
SCHEMBL9835232 0.69 MAPT (0.36) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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
EP-0368063-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-06-10 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0368063-A1 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1990-05-16 EP disclosed