SCHEMBL20138895

SCHEMBL20138895

COCCN1N=C(c2ccc(Br)cc2)CC(C)(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4B Q07343 5/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.34
BACE1 P56817 2/20 0.34
LMNA P02545 2/20 0.34
CXCR3 P49682 1/20 0.34
PAX8 Q06710 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL20159532 0.93 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20159716 0.88 PDE4B (0.36) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20142913 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20159737 0.81 RAB9A (0.36) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL20159528 0.81 PDE4B (0.40) PDE4BKMT2AALDH1A1MEN1KCNH2
SCHEMBL20138970 0.80 FPR1 (0.37) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20159747 0.79 GSK3B (0.40) SMN1; SMN2RAB9AKMT2AMAPTALDH1A1
SCHEMBL20159374 0.79 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20159360 0.79 NPC1 (0.44) SMN1; SMN2NPC1RAB9APDE4BKMT2A
SCHEMBL20142960 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9APDE4BKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed