SCHEMBL19592425

SCHEMBL19592425

CSC(CC#N)c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.38
TBXA2R P21731 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
FOLH1 Q04609 1/20 0.37
AKR1C3 P42330 1/20 0.37
MAPT P10636 3/20 0.37
PTGS1 P23219 2/20 0.37
CXCR1 P25024 2/20 0.37

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
SCHEMBL19592282 0.86 HDAC8 (0.45) KMT2AHSD17B10CYP1A2HIF1A
SCHEMBL19592278 0.85 LOXL2 (0.43) ALDH1A1KMT2AHPGDMAPTSMN1; SMN2
SCHEMBL171155 0.81 ANPEP (0.50) ANPEPENPEPALDH1A1KMT2AHPGD
SCHEMBL19592388 0.80 TERT (0.43) KMT2AHSD17B10CYP1A2SMN1; SMN2KDM4E
SCHEMBL9918246 0.78 ANPEP (0.48) ANPEPENPEPALDH1A1KMT2AHPGD
SCHEMBL19592272 0.78 L3MBTL1 (0.52) ALDH1A1KMT2AHPGDSMN1; SMN2RECQL
SCHEMBL21974404 0.78 ANPEP (0.67) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL19592361 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10CYP1A2AKR1C3
SCHEMBL24767350 0.76 GLA (0.38) GRM4
SCHEMBL19592381 0.76 PNP (0.37) ALDH1A1KMT2AHPGDHSD17B10MAPT

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-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed