SCHEMBL29291875

SCHEMBL29291875

CCCn1cc(-c2cn(CC)nn2)nn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ KDM3A Q9Y4C1 1/20 0.44
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ RET P07949 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ SMPD1 P17405 4/20 0.35
▸ GBA1 P04062 6/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL12022152 0.77 CYP19A1 (0.62) NPC1RAB9AL3MBTL1
SCHEMBL15451914 0.77 L3MBTL1 (0.57) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL21808038 0.77 MAPT (0.37) KDM4ENPC1RAB9AATML3MBTL1
Bromide SCHEMBL1883296 0.76 CYP19A1 (0.60) NPC1RAB9AL3MBTL1
SCHEMBL20473667 0.76 RAB9A (0.38) KDM4ECCNKCDK12NR1H4NPC1
SCHEMBL19723347 0.74 ALOX5 (0.60) NR1H4NPC1RAB9AATML3MBTL1
SCHEMBL17697510 0.74 CYP19A1 (0.58) NPC1RAB9AL3MBTL1
SCHEMBL19535211 0.74 DRD2 (0.48) NR1H4NPC1RAB9AATML3MBTL1
SCHEMBL2628202 0.74 — —
SCHEMBL12395842 0.73 ALOX5 (0.43) NR1H4NPC1RAB9AATML3MBTL1

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
CN-110233290-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-09-13 — — CN disclosed
CN-104966849-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-06-07 — — CN disclosed
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