SCHEMBL4088694

SCHEMBL4088694

O=CNc1[nH]nc2cc(C(=O)O)oc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
GPR35 Q9HC97 1/20 0.32
PIM1 P11309 4/20 0.31
PIM2 Q9P1W9 4/20 0.31
DAO P14920 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL652871 0.74 ALPL (0.43) GPR35KMT2APOLBMAPT
SCHEMBL4088691 0.73 HCAR2 (0.33) HCAR2DAO
SCHEMBL4088696 0.69 GPR35 (0.33) GPR35PIM1DAOKMT2A
SCHEMBL28589567 0.66 GPR35 (0.44) GPR35PIM1PIM2MEN1KMT2A
SCHEMBL3954538 0.59 PIM1 (0.40) HCAR2GPR35PIM1PIM2DAO
SCHEMBL16085090 0.58 ALDH1A1 (0.41) GPR35PIM1DAOKMT2APOLB
SCHEMBL23804707 0.57 DAO (0.43) GPR35PIM1PIM2DAOKMT2A
SCHEMBL18096283 0.55 MCL1 (0.43) GPR35PIM1PIM2DAO
SCHEMBL28038426 0.55
SCHEMBL11737816 0.55 KDM5A (0.48) MEN1KMT2APOLBMAPT

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed