SCHEMBL11712283

SCHEMBL11712283

CNc1c2c(c3ccccc3c1OCC(C)C)C(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.40
▸ CCND1 P24385 4/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ ELANE P08246 1/20 0.39
▸ CDK5 Q00535 3/20 0.34
▸ CDK5R1 Q15078 3/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33

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
SCHEMBL11716003 0.85 PTGER4 (0.39) CDK4CCND1GSK3BELANECDK5
SCHEMBL11714135 0.84 CDK4 (0.35) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11712853 0.83 PTGER4 (0.37) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11717630 0.82 GSK3B (0.38) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11715487 0.82 GSK3B (0.36) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11709013 0.82 ALDH1A1 (0.46) GSK3BELANEALDH1A1TSHRSMN1; SMN2
SCHEMBL11713383 0.82 GSK3B (0.36) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11722544 0.82 PTGER4 (0.38) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11717134 0.80 KDM4E (0.43) CDK4CCND1GSK3BCDK5CDK5R1
SCHEMBL11712173 0.80 NCF1 (0.34) CDK4CCND1GSK3BCDK5CDK5R1

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-4055565-A Optical brightening agents of naphthalimide derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-10-25 — — US disclosed
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