SCHEMBL14101836

SCHEMBL14101836

COc1cc(OC)cc(-c2nc(-c3cc(N4CCCC4)ccc3C(F)(F)F)nc3c2CCC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ACHE P22303 1/20 0.39
DCTPP1 Q9H773 2/20 0.38
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
MAPT P10636 2/20 0.36
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL4723487 0.88 ITGB2 (0.36) SMN1; SMN2LMNAHTTRECQLMAPT
SCHEMBL14102029 0.85 ACHE (0.40) SMN1; SMN2LMNAHTTRECQLACHE
SCHEMBL4721485 0.84 ACACB (0.38) SMN1; SMN2LMNADCTPP1MAPTKMT2A
SCHEMBL14102034 0.83 KDM4E (0.37) SMN1; SMN2LMNAACHEDCTPP1MAPT
SCHEMBL14101743 0.77 HTR2A (0.36) SMN1; SMN2LMNAHTTMAPTKDM4E
SCHEMBL14101744 0.76 AKR1B10 (0.35) LMNAHTTMAPTKDM4EHSD17B10
SCHEMBL4721666 0.73 CDK1 (0.38) LMNADCTPP1MAPTKDM4ENPSR1
SCHEMBL4721675 0.73 CDK1 (0.38) LMNADCTPP1MAPTKDM4ENPSR1
SCHEMBL4724195 0.73 F10 (0.42) HTTMAPTHRH3ALDH1A1F2
SCHEMBL4722495 0.72 F10 (0.44) HTTMAPTHRH3KDM4EHSD17B10

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