SCHEMBL8490359

SCHEMBL8490359

NC(=O)c1ccc2cccc(C(=O)O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.65
PARP1 P09874 7/20 0.54
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 2/20 0.47
ALDH1A1 P00352 3/20 0.46
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
PARP3 Q9Y6F1 1/20 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
SCHEMBL30170409 0.87 KDM4E (0.68) PIM1KDM4EKMT2AMMP2ALDH1A1
SCHEMBL7143621 0.87 KDM4E (0.68) PIM1KDM4EKMT2AMMP2ALDH1A1
SCHEMBL27283354 0.86 KDM4E (0.66) PIM1KDM4EKMT2AMMP2ALDH1A1
SCHEMBL28798022 0.86 KDM4E (0.66) PIM1KDM4EKMT2AMMP2ALDH1A1
SCHEMBL3956008 0.79 PIM1 (0.57) PIM1ALDH1A1
SCHEMBL14610232 0.79 PIM1 (0.68) PIM1PARP1KDM4EKMT2AALDH1A1
SCHEMBL4823327 0.79 PIM1 (0.69) PIM1PARP1KDM4EKMT2AMMP2
SCHEMBL3182339 0.79 PIM1 (1.00) PIM1PARP1KDM4EKMT2AMMP2
Phthalic Acid SCHEMBL30909153 0.78 MGAM (0.66) PIM1KDM4EKMT2AALDH1A1
Phthalic Acid SCHEMBL27503113 0.78 MGAM (0.66) PIM1KDM4EKMT2AALDH1A1

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
WO-1999041239-A1 B CELL INHIBITORS NOVARTIS AG (CH) 1999-08-19 WO disclosed