SCHEMBL7492371

SCHEMBL7492371

Cc1nc2c([nH]1)C=CN(Cc1ccc(C(=O)O)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 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
SCHEMBL7496213 0.87 RAB9A (0.43) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL1961428 0.86 CYP2D6 (0.43) KMT2ATDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31419413 0.67 PTGS1 (0.44) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL28150086 0.65 PTGS1 (0.47) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL1044416 0.64 ALDH1A1 (0.50) MEN1KMT2ATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28667324 0.63 ALDH1A1 (0.49) MEN1KMT2ATDP1ALDH1A1KDM4E
Bromide SCHEMBL1178937 0.63 ALDH1A1 (0.49) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL13856724 0.60 ALDH1A1 (1.00) MEN1KMT2ATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30558881 0.60 ALDH1A1 (0.45) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL10074441 0.60 HDAC1 (0.62) MEN1KMT2ATDP1ALDH1A1KDM4E

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
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed