SCHEMBL19781139

SCHEMBL19781139

CC(C)Oc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ccc2C=N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
PTGS2 P35354 1/20 0.38
NPC1 O15118 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL19781532 0.86 ACP1 (0.46) ACP1TTBK1TTBK2NPC1TP53
SCHEMBL19781533 0.77 MAPT (0.45) ACP1NPC1TP53MAPTHDAC2
SCHEMBL19781791 0.75 ACP1 (0.40) ACP1TTBK1TTBK2NPC1TP53
SCHEMBL3025365 0.71 MAOA (0.55) MAOAMAOBPTGS2NPC1MAPT
SCHEMBL21449914 0.69 GRM1 (0.40) PTGS2NPC1CHRNB4CHRNA3CHRNA7
SCHEMBL19781509 0.69 GABRP (0.52) PTGS2CHRNB4CHRNA3CHRNA7CHRNA10
SCHEMBL19781262 0.67 CHRNB4 (0.39) PTGS2NPC1CHRNB4CHRNA3CHRNA7
SCHEMBL19781774 0.67 ACP1 (0.45) ACP1TTBK1TTBK2NPC1TP53
SCHEMBL19781149 0.67 ALDH2 (0.42) MAOAMAOBPTGS2NPC1CHRNB4
SCHEMBL19781175 0.67 PTGS2 (0.39) MAOAPTGS2NPC1CHRNB4CHRNA3

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-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed