SCHEMBL4724987

SCHEMBL4724987

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
F2 P00734 3/20 0.40
NOTUM Q6P988 2/20 0.35
TGFBR1 P36897 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
AR P10275 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL4721216 0.91 F10 (0.32) F10F2TGFBR1LRRK2MAPT
SCHEMBL4721178 0.88 F10 (0.36) F10F2
SCHEMBL4721173 0.88 F10 (0.36) F10F2
SCHEMBL4766703 0.88 F10 (0.36) F10F2
SCHEMBL4718926 0.87 F10 (0.32) F10F2TGFBR1
SCHEMBL4724195 0.87 F10 (0.42) F10F2NOTUMALDH1A1POLB
SCHEMBL4720876 0.87 CYP11B1 (0.33) F10LRRK2ALDH1A1MAPT
SCHEMBL4764976 0.86 CNR1 (0.34) LRRK2
SCHEMBL4719266 0.86 LRRK2 (0.33) F10LRRK2
SCHEMBL4722495 0.86 F10 (0.44) F10F2NOTUMALDH1A1POLB

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