SCHEMBL7701943

SCHEMBL7701943

Cc1cc2c(-c3nccs3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
GFER P55789 1/20 0.44
EPHX2 P34913 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
BRCA1 P38398 1/20 0.42

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
SCHEMBL6985373 0.89 KHK (0.45) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7091715 0.87 MEN1 (0.43) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7707511 0.86 EPHX2 (0.53) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7084508 0.84 ROCK2 (0.51) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL6991336 0.83 RAB9A (0.56) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7167309 0.82 TSHR (0.49) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7707145 0.82 SMN1; SMN2 (0.54) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7701965 0.81 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL7707136 0.81 HDAC1 (0.46) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL6988611 0.77 RAB9A (0.58) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US claimed