SCHEMBL10694814

SCHEMBL10694814

COC(=O)c1c(OC(=O)c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
APLNR P35414 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.40
SDHB P21912 2/20 0.39
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 3/20 0.39
CFTR P13569 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10363011 0.81 KDM4E (0.41) MAPTLMNASDHBNOTUMKMT2A
SCHEMBL10696730 0.78 KDM4E (0.48) MAPTLMNASDHBKMT2AKDM4E
SCHEMBL6730105 0.77 KDM4E (0.43) MAPTLMNASDHBKMT2AKDM4E
SCHEMBL10364788 0.76 KDM4E (0.38) MAPTLMNASDHBNOTUMCFTR
SCHEMBL10696362 0.75 ALDH1A1 (0.38) MAPTLMNAGAAKMT2AKDM4E
SCHEMBL10364438 0.74 MAPT (0.40) MAPTLMNAGAASDHBNOTUM
SCHEMBL6734856 0.74 CYP3A4 (0.44) MAPTLMNAGAASDHBNOTUM
SCHEMBL6730092 0.73 LMNA (0.44) LMNANOTUMKDM4EALDH1A1POLB
SCHEMBL10363915 0.73 ATF1 (0.36) MAPTLMNAGAASDHBNOTUM
SCHEMBL385370 0.72 LMNA (0.60) MAPTLMNANOTUMCFTRALDH1A1

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
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP claimed