SCHEMBL19637046

SCHEMBL19637046

CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 4/20 0.47
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
F2 P00734 1/20 0.34
POLB P06746 1/20 0.34
KIT P10721 1/20 0.34
ASIC1 P78348 1/20 0.34
RAD51 Q06609 1/20 0.33
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
CSNK1D P48730 3/20 0.33
CSNK1E P49674 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 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
SCHEMBL16598616 0.81 F2RL1 (0.58) F2RL1F2KDM4EALDH1A1LDHA
SCHEMBL16598416 0.77 F2RL1 (0.57) F2RL1NPC1RAB9AF2F2RL3
SCHEMBL22576836 0.74 F2RL1 (0.57) F2RL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL16598407 0.72 F2RL1 (0.51) F2RL1F2KDM4EALDH1A1LDHA
SCHEMBL16598609 0.72 F2RL1 (0.48) F2RL1NPC1RAB9APOLBF2RL3
SCHEMBL19637914 0.71 F2RL1 (0.73) F2RL1F2KITKDM4EALDH1A1
SCHEMBL16598679 0.69 F2RL1 (0.54) F2RL1NPC1RAB9APOLBKDM4E
SCHEMBL16598377 0.69 F2RL1 (0.50) F2RL1NPC1RAB9AF2F2RL3
SCHEMBL21156736 0.69 F2RL1 (0.76) F2RL1F2POLBKITKDM4E
SCHEMBL16598372 0.68 F2RL1 (0.47) F2RL1NPC1RAB9AKDM4ELDHA

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-2017197463-A1 TREATMENT OF PAIN MONASH UNIVERSITY (AU) 2017-11-23 WO disclosed