SCHEMBL12676218

SCHEMBL12676218

Cc1ccc2c(c1)[nH]c1c3ccccc3c3ccccc3c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.59
▸ CDK4 P11802 3/20 0.57
▸ CCND1 P24385 3/20 0.57
▸ CAMK2B Q13554 1/20 0.57
▸ CAMK2G Q13555 1/20 0.57
▸ CAMK2D Q13557 1/20 0.57
▸ CAMK2A Q9UQM7 1/20 0.57
▸ GABRP O00591 3/20 0.55
▸ GABRD O14764 3/20 0.55
▸ GABRA1 P14867 3/20 0.55
▸ GABRB1 P18505 3/20 0.55
▸ GABRG2 P18507 3/20 0.55
▸ GABRB3 P28472 3/20 0.55
▸ GABRA5 P31644 3/20 0.55
▸ GABRA3 P34903 3/20 0.55
▸ GABRA2 P47869 3/20 0.55
▸ GABRB2 P47870 3/20 0.55
▸ GABRA4 P48169 3/20 0.55
▸ GABRE P78334 3/20 0.55
▸ GABRA6 Q16445 3/20 0.55

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
SCHEMBL22045000 0.81 KIF11 (0.81) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL14431320 0.80 CDK4 (0.59) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL12676339 0.80 GABRA1 (0.50) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL1899929 0.79 CDK4 (0.57) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL22019241 0.79 CDK4 (0.59) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL31677103 0.78 GABRP (0.67) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL29831925 0.78 GABRP (0.67) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL532386 0.78 GABRP (0.67) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL29385634 0.78 GABRP (0.67) KIF11CDK4CCND1CAMK2BCAMK2G
SCHEMBL21972824 0.78 GABRP (0.72) KIF11CDK4CCND1CAMK2BCAMK2G

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-2011055932-A2 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-05-12 — — WO disclosed
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