SCHEMBL7707519

SCHEMBL7707519

N#Cc1cc2cc(-c3ccco3)ccc2n1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 9/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 9/20 0.43
RAB9A P51151 8/20 0.43
MAPT P10636 7/20 0.43
GFER P55789 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 3/20 0.41

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
SCHEMBL7707527 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7707549 0.87 RAB9A (0.47) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7707535 0.87 HDAC1 (0.50) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7710323 0.86 HDAC1 (0.54) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7704599 0.85 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7704594 0.83 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7091717 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7707516 0.77 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7707124 0.77 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7086655 0.75 EPHX2 (0.48) ALDH1A1MEN1KMT2APOLBSMN1; 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 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