SCHEMBL8652103

SCHEMBL8652103

CSc1nc(C)[nH]c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
NUDT1 P36639 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8543962 0.79 MAPT (0.39) GAATDP1HSP90AA1ESR2MAPT
SCHEMBL3023228 0.74 HSP90AA1 (0.39) L3MBTL1TDP1HSP90AA1ESR2KDM4E
SCHEMBL213561 0.72 PIN1 (0.48) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL948852 0.72 GABRP (0.41) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL3023200 0.71 ALDH1A1 (0.38) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL3032708 0.71 GPR35 (0.37) TDP1HSP90AA1ESR2KDM4EALDH1A1
SCHEMBL8077442 0.68 PIN1 (0.37) TDP1HSP90AA1ESR2ALDH1A1
SCHEMBL8077446 0.68 PARP1 (0.38) TDP1HSP90AA1ESR2MAPTKDM4E
SCHEMBL11990814 0.67 GAA (0.59) GAANUDT1L3MBTL1KDM4EALDH1A1
SCHEMBL21816328 0.67 NOTUM (0.37) TDP1HSP90AA1ESR2MAPTKDM4E

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
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed