SCHEMBL9752986

SCHEMBL9752986

CCOC(=S)c1c(-c2ccc(F)cc2)nn2c(C)ccc2c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCZ Q05513 1/20 0.32
TGFBR1 P36897 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
SCHEMBL9752976 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9753309 0.77 MAPK14 (0.43) MAPK14TGFBR1PTGS2GCGR
SCHEMBL9753107 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9753110 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9752984 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9752973 0.75 MAPK14 (0.43) MAPK14NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL9753651 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9752928 0.72 MAPK14 (0.43) MAPK14ALDH1A1KMT2APTGS2
SCHEMBL9753363 0.71 DHODH (0.38) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9752936 0.70 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10ALOX15

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed