SCHEMBL20159374

SCHEMBL20159374

CC1(C)CC(c2ccc(Br)cc2)=NN(CC(F)F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 4/20 0.35
PDE4B Q07343 3/20 0.34
PAX8 Q06710 1/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1C Q13936 1/20 0.33
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20159516 0.87 PDE4B (0.34) PDE4BMEN1KMT2AL3MBTL1
SCHEMBL20142913 0.84 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20159360 0.82 NPC1 (0.44) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20138970 0.81 FPR1 (0.37) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20138895 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20159737 0.77 RAB9A (0.36) SMN1; SMN2NPC1RAB9AGAAFPR2
SCHEMBL20159532 0.77 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20142960 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGAAPDE4B
SCHEMBL20159747 0.75 GSK3B (0.40) SMN1; SMN2RAB9AGAAMEN1KMT2A
SCHEMBL11569239 0.74 MEN1 (0.45) SMN1; SMN2RAB9AMEN1KMT2AL3MBTL1

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