SCHEMBL11533447

SCHEMBL11533447

CNc1c2c(c3cccc(Cl)c3c1Cl)C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 7/20 0.37
▸ CHEK1 O14757 6/20 0.37
▸ CES1 P23141 1/20 0.35
▸ GSK3B P49841 4/20 0.35
▸ PRKCA P17252 2/20 0.35
▸ STK10 O94804 2/20 0.35
▸ SLK Q9H2G2 2/20 0.35
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CAMK2B Q13554 1/20 0.33
▸ CAMK2G Q13555 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
SCHEMBL11531116 0.85 CHEK1 (0.35) WEE1CHEK1CES1GSK3BPRKCA
SCHEMBL11535554 0.81 GSK3B (0.37) WEE1CHEK1GSK3BSTK10SLK
SCHEMBL11420985 0.81 CES1 (0.44) WEE1CHEK1CES1GSK3BPRKCA
SCHEMBL11756770 0.73 PARP1 (0.45) WEE1CHEK1CES1GSK3BSTK10
SCHEMBL11765410 0.72 WEE1 (0.42) WEE1CHEK1CES1GSK3BPRKCA
SCHEMBL10396142 0.71 TGM2 (0.36) WEE1CHEK1PRKCAEGFRPBRM1
SCHEMBL11530530 0.70 KDR (0.44) WEE1CHEK1GSK3BSTK10SLK
SCHEMBL11717398 0.67 HPGD (0.41) GSK3BCDK4CCND1GSK3ACDK5
SCHEMBL11717134 0.67 KDM4E (0.43) GSK3BPRKCASTK10SLKCDK4
SCHEMBL11430142 0.66 CYP1A2 (0.43) WEE1CHEK1CES1GSK3BPRKCA

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-4139532-A OPTICAL BRIGHTENERS FOR POLYESTERS AND THEIR BLENDS WITH COTTON BASF AKTIENGESELLSCHAFT (DE) 1979-02-13 — — US disclosed
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