SCHEMBL6935526

SCHEMBL6935526

CCOc1cccc(C2=NC(c3ccc(F)cc3F)(C3(c4ccc(F)cc4F)N=C(c4cccc(OCC)c4)C(c4cccc(OCC)c4)=N3)N=C2c2cccc(OCC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.45
PTGS2 P35354 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
NOTUM Q6P988 1/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
DHODH Q02127 2/20 0.38
MAP4K4 O95819 1/20 0.38
GRM5 P41594 1/20 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
SCHEMBL6942517 0.90 NR3C1 (0.45) NR3C1PTGS2BRD4BRD2CREBBP
SCHEMBL6937716 0.86 BACE1 (0.45) TP53CYP3A4BACE1MAPK1RAB9A
SCHEMBL29450716 0.86 BACE1 (0.45) TP53CYP3A4BACE1MAPK1RAB9A
SCHEMBL6938211 0.83 PTGS2 (0.45) NR3C1PTGS2BRD4BRD2CREBBP
SCHEMBL8665749 0.76 BACE1 (0.39) MAPTTHRBBACE1RAB9A
SCHEMBL6938978 0.75 BACE1 (0.45) CYP3A4BACE1MAPK1HSD17B10
SCHEMBL29450715 0.75 BACE1 (0.45) CYP3A4BACE1MAPK1HSD17B10
SCHEMBL6941966 0.72 DYRK1A (0.43) NOTUMDHODHCYP3A4BACE1
SCHEMBL6941655 0.72 DYRK1A (0.43) NOTUMKDM4EMAPTTDP1TP53
SCHEMBL29417503 0.72 DYRK1A (0.43) NOTUMKDM4EMAPTTDP1TP53

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-6524770-B1 For polyimide precursor curable under patternwise low radiation; heat and chemical resistance; polyamide having unsaturated ester pendant groups cures HITACHI CHEMICAL CO., LTD. (JP) 2003-02-25 US disclosed