SCHEMBL5317249

SCHEMBL5317249

COc1cc(CN(C(=O)NCCNC(=O)O)c2ccc(F)cc2)ccc1OCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.48
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
PTGER1 P34995 2/20 0.41
MAPK14 Q16539 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL5317502 0.83 KMT2A (0.46) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3458730 0.82 KMT2A (0.55) PPARAKDM4EMEN1KMT2AATM
SCHEMBL5317248 0.82 TSHR (0.46) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL5316415 0.79 TSHR (0.49) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL5113509 0.76 TRPM8 (0.60) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL5315556 0.76 ALDH1A1 (0.47) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL14464512 0.74 TRPM8 (0.52) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL14078285 0.74 TSHR (0.55) PPARAKDM4EALDH1A1MEN1KMT2A
SCHEMBL14078314 0.73 TRPM8 (0.53) PPARAKDM4EALDH1A1PTGER1MAPK14
SCHEMBL5315853 0.73 TRPM8 (0.57) PPARAKDM4EALDH1A1MEN1KMT2A

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
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed