SCHEMBL7704583

SCHEMBL7704583

N#Cc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
GFER P55789 1/20 0.42
GAA P10253 2/20 0.42
LRRK2 Q5S007 4/20 0.41
EPHX2 P34913 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KCNK3 O14649 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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 0.90 EPHX2 (0.48) HDAC1SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL7707537 0.89 ROCK2 (0.48) HDAC1SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL7707136 0.87 HDAC1 (0.46) HDAC1SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL7704594 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707778 0.85 SMN1; SMN2 (0.46) HDAC1SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL7710323 0.84 HDAC1 (0.54) HDAC1SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL7091715 0.82 MEN1 (0.43) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7141571 0.81 ALDH1A1 (0.59) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707511 0.77 EPHX2 (0.53) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL7707775 0.76 SMN1; SMN2 (0.48) 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