SCHEMBL9012115

SCHEMBL9012115

CC1(OC(=O)c2ccc(Nc3nc(Nc4ccc(C(=O)OC5(C)CCCCC5)cc4)nc(Nc4ccc(C(=O)OC5(C)CCCCC5)cc4)n3)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PDPK1 O15530 1/20 0.45
PTGS2 P35354 2/20 0.44
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
SLC2A1 P11166 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39

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
SCHEMBL9012251 0.96 KMT2A (0.56) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9588949 0.96 KMT2A (0.56) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9012463 0.89 PKM (0.51) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9591081 0.89 PKM (0.51) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9012074 0.83 RAB9A (0.52) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9589006 0.82 ALDH1A1 (0.50) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9012631 0.82 ALDH1A1 (0.41) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL9012430 0.82 ALDH1A1 (0.50) MEN1KMT2ARAB9AKDM4ETHRB
SCHEMBL14677745 0.81 CA1 (0.48) RAB9AKDM4EHTTMAPTNPC1
SCHEMBL13564220 0.76 TSHR (0.47) MEN1KMT2ANPSR1MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517104-B1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA SPA (IT) 1996-11-27 EP claimed
US-5233040-A Light stabilizers for synthetic polymers; sunscreen agents SIGMA PRODOTTI CHIMICI S.P.A. (IT) 1993-08-03 US claimed
EP-0517104-A1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed