SCHEMBL7739367

SCHEMBL7739367

C=C(C)C(=O)OC(C)Cc1cc(Cc2cc(CC(C)OC(=O)C(=C)C)cc(-n3nc4ccc(Br)cc4n3)c2O)c(O)c(-n2nc3ccc(Br)cc3n2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL7729398 0.90 NPC1 (0.36) KDM4ENPC1ALDH1A1CASP3RAB9A
SCHEMBL7737494 0.90 NPC1 (0.31) KDM4ENPC1ALDH1A1CASP3RAB9A
SCHEMBL7736241 0.83 NPC1 (0.30) NPC1RAB9A
SCHEMBL7739360 0.81 TNKS2 (0.32) ALDH1A1
SCHEMBL7564694 0.81 NPC1 (0.35) NPC1RAB9A
SCHEMBL7736240 0.80 POLB (0.33) ALDH1A1
SCHEMBL7736252 0.77 NPC1 (0.36) KDM4ENPC1ALDH1A1CASP3RAB9A
SCHEMBL7736243 0.76 MCL1 (0.30) MCL1
SCHEMBL23122389 0.75 NPC1 (0.45) KDM4ENPC1ALDH1A1CASP3RAB9A
SCHEMBL7024972 0.75 NPC1 (0.33) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414100-B1 COMPOUND HAVING EXTREMELY LOW VAPOR PRESSURE AND HIGH DECOMPOSITION TEMPERATURE; CROSSLINKING AGENT FOR WEATHER RESISTANT POLYMERS OTSUKA CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1055669-A1 BISBENZOTRIAZOLYLPHENOL COMPOUNDS, ULTRAVIOLET ABSORBER, ULTRAVIOLET-ABSORBING POLYMER, AND RESIN COMPOSITION AND COATING MATERIAL BOTH CONTAINING THESE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2000-11-29 EP disclosed