SCHEMBL7095783

SCHEMBL7095783

O=C(O)CCc1c[nH]cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR17 Q13304 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.37
FFAR1 O14842 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM1 P11229 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL28737712 0.84 NPSR1 (0.54) NPSR1GPR17HPGDCYP2C19KEAP1
SCHEMBL5842251 0.81 NOTUM (0.45) NOTUMALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL12466660 0.80 ALDH1A1 (0.45) NPSR1ALDH1A1GPR17HPGDCYP2C19
SCHEMBL969678 0.79 NOTUM (0.48) NOTUMALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL672247 0.76 NPSR1 (0.56) NPSR1ALDH1A1GPR17HPGDCYP2C19
SCHEMBL21751965 0.76 NOTUM (0.54) NOTUMALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL151413 0.75 NPSR1 (0.61) NPSR1NOTUMALDH1A1GPR17HPGD
SCHEMBL70047 0.71 NOTUM (0.65) NOTUMALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL29062 0.71 FOLH1 (0.66) NPSR1ALDH1A1HPGDKEAP1HTT
SCHEMBL18496704 0.71 NPSR1 (0.41) NPSR1GPR17HPGDCYP2C19KEAP1

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-1296975-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2003-04-02 EP claimed
WO-2002002551-A1 4-HETEROARYL-3-HETEROARYLIDENYL-2-INDOLINONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2002-01-10 WO claimed