SCHEMBL14101837

SCHEMBL14101837

COc1cc(OC)cc(-n2cc(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.40
F2 P00734 3/20 0.40
AR P10275 1/20 0.36
UGCG Q16739 1/20 0.35
MAPT P10636 4/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP24A1 Q07973 2/20 0.34
TSHR P16473 1/20 0.34
CYP26A1 O43174 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
DCTPP1 Q9H773 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4722241 0.88 ACACB (0.36) F10F2UGCG
SCHEMBL4722248 0.88 ACACB (0.36) F10F2UGCG
SCHEMBL4720966 0.87 EGFR (0.35) UGCGALDH1A1KMT2ACYP24A1TSHR
SCHEMBL14101726 0.77 F2 (0.37) F10F2ARMAPTALOX15
SCHEMBL14102089 0.76 MAPT (0.36) F10F2ARMAPTALOX15
SCHEMBL14101744 0.75 AKR1B10 (0.35) F10F2ARMAPTALOX15
SCHEMBL14101743 0.75 HTR2A (0.36) F10F2ARMAPTALOX15
SCHEMBL14102029 0.72 ACHE (0.40) F10F2MAPTALOX15HSD17B10
SCHEMBL14101834 0.72 F2 (0.36) F10F2ARMAPTALOX15
SCHEMBL14101836 0.71 SMN1; SMN2 (0.39) F10F2MAPTALOX15HSD17B10

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed