SCHEMBL11527534

SCHEMBL11527534

COc1cccc2c3c(c(NC(C)C)c(OC)c12)C(=O)NC3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.41
▸ CHEK1 O14757 4/20 0.38
▸ WEE1 P30291 4/20 0.38
▸ STK10 O94804 4/20 0.37
▸ SLK Q9H2G2 4/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ GSK3B P49841 4/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ STK33 Q9BYT3 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ TLK1 Q9UKI8 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL11530530 0.86 KDR (0.44) KDRCHEK1WEE1STK10SLK
SCHEMBL11529207 0.84 GSK3B (0.42) KDRCHEK1WEE1STK10SLK
SCHEMBL11531116 0.73 CHEK1 (0.35) CHEK1WEE1STK10SLKGSK3B
SCHEMBL19930436 0.67 CA1 (0.46) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11717134 0.67 KDM4E (0.43) KDRSTK10SLKGSK3BCDK4
SCHEMBL11712851 0.64 KDR (0.41) KDRGSK3BCDK4CCND1GSK3A
SCHEMBL11717630 0.64 GSK3B (0.38) KDRSTK10SLKGSK3BCDK4
SCHEMBL12627519 0.64 ALDH1A1 (0.54) ABCG2MAOAMEN1KMT2AALDH1A1
SCHEMBL11712171 0.63 KDM4E (0.64) KDRGSK3BCDK4CCND1MEN1
SCHEMBL11448733 0.62 GRK6 (0.46) CHEK1WEE1GSK3AMEN1KMT2A

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
Send feedback