SCHEMBL3744873

SCHEMBL3744873

c1ccc(Cc2ccc3[nH]nnc3c2-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PAX8 Q06710 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL27794958 0.84 MAPK14 (0.36) SMN1; SMN2GSK3B
SCHEMBL5321435 0.83 CHEK1 (0.34) SMN1; SMN2NPC1HPGDRAB9AMEN1
SCHEMBL27428105 0.83 DPP4 (0.41) CDK1GSK3AGSK3BMEN1KMT2A
SCHEMBL28235005 0.81 AKT2 (0.36) TSHRKMT2ACHEK1AKT2KDM4E
SCHEMBL9952233 0.80 PAX8 (0.43) PAX8ALOX5BCL2BCL2L1
SCHEMBL5616785 0.79 CHEK1 (0.32) NPC1HPGDRAB9AKMT2ACHEK1
SCHEMBL28723534 0.79 AKT2 (0.35) SMN1; SMN2HPGDKMT2ACHEK1AKT2
SCHEMBL1938294 0.78 HSD11B1 (0.38) TSHRCHEK1AKT2KDM4E
SCHEMBL30933259 0.78 CYP3A4 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL18393343 0.78 CYP3A4 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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-7816424-B2 Biodegradable plastics composition, molded article of the composition, and method of controlling biodegradation rate NISSHINBO INDUSTRIES, INC. (JP) 2010-10-19 US disclosed