SCHEMBL3241779

SCHEMBL3241779

NCCSc1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
CSNK2A2 P19784 3/20 0.34
CSNK2B P67870 3/20 0.34
CSNK2A1 P68400 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
HTR7 P34969 1/20 0.33
PARP1 P09874 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL3244477 0.85 DAO (0.44) CYP1A2HSD17B10MCL1BCL2A1CSNK2A2
SCHEMBL13928207 0.85 GABRA1 (0.43) CYP1A2HSD17B10KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3251797 0.84 GABRA1 (0.43) CYP1A2HSD17B10KDM4EALDH1A1MAPT
SCHEMBL3250776 0.82 PLA2G1B (0.41) CYP1A2HSD17B10MCL1F7F3
SCHEMBL3251438 0.81 IDO1 (0.37) CYP1A2HSD17B10HTTPARP1
Hydrochloric Acid SCHEMBL4164363 0.81 CYP2C19 (0.42) CYP1A2HSD17B10HTR7PARP1MAPT
SCHEMBL3241773 0.80 NGFR (0.49) CYP1A2HSD17B10MCL1F7F3
SCHEMBL3249253 0.80 PLA2G1B (0.37) CYP1A2HSD17B10MCL1F7F3
SCHEMBL3253510 0.78 MAOA (0.39) CYP1A2HSD17B10F7F3KDM4E
SCHEMBL3243089 0.78 CYP1A2 (0.45) CYP1A2HSD17B10F7F3CSNK2A2

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed