SCHEMBL7704594

SCHEMBL7704594

N#Cc1cc2c(-c3ccco3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 3/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
GFER P55789 1/20 0.43
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7086655 0.88 EPHX2 (0.48) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7701965 0.87 ALDH1A1 (0.47) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707537 0.86 ROCK2 (0.48) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7704583 0.86 HDAC1 (0.47) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707120 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707519 0.83 ALDH1A1 (0.46) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7091715 0.82 MEN1 (0.43) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7141571 0.81 ALDH1A1 (0.59) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707775 0.77 SMN1; SMN2 (0.48) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7710408 0.77 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1MEN1KMT2A

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