SCHEMBL31413331

SCHEMBL31413331

Cc1cc(C)cc(-n2ccc3ccc(N)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
COMT P21964 1/20 0.40
MAPT P10636 1/20 0.39
BRPF1 P55201 2/20 0.39
CDC7 O00311 5/20 0.38
CDK2 P24941 5/20 0.38
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK1 Q13464 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAP3K14 Q99558 2/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CASP6 P55212 1/20 0.34
CYP2A6 P11509 1/20 0.34
KEAP1 Q14145 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 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
SCHEMBL21925193 1.00 PRKCI (0.42) PRKCICOMTMAPTBRPF1CDC7
SCHEMBL4629027 0.86 PRKCI (0.55) PRKCICOMTMAPTBRPF1HPGD
SCHEMBL15712770 0.80 SMN1; SMN2 (0.55) PRKCIMAPTCDC7CDK2L3MBTL1
SCHEMBL28616645 0.79 PRKCI (0.40) PRKCIMAPTBRPF1CDC7CDK2
SCHEMBL5216431 0.78 BIRC5 (0.55) PRKCICOMTMAPTBRPF1CDC7
SCHEMBL21925198 0.77 PRKCI (0.38) PRKCIMAPTBRPF1CDC7CDK2
SCHEMBL21925197 0.77 MAPT (0.54) MAPTROCK1LMNAALDH1A1
SCHEMBL31413327 0.77 PRKCI (0.38) PRKCIMAPTBRPF1CDC7CDK2
SCHEMBL31413335 0.77 MAPT (0.54) MAPTROCK1LMNAALDH1A1
SCHEMBL28609348 0.76 PRKCI (0.37) PRKCIMAPTBRPF1CDC7CDK2

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
CN-119510740-A Therapeutic agent for lipid peroxidation-induced disease and screening method therefor 扶桑药品工业株式会社 2025-02-25 CN disclosed