SCHEMBL17004403

SCHEMBL17004403

O=C(O)Nc1cccc(CC(=O)N2CCC(c3ccc(F)cc3)=N2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.45
MAOB P27338 1/20 0.44
MGLL Q99685 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PGR P06401 1/20 0.39
CACNA1H O95180 1/20 0.38
F10 P00742 1/20 0.38
ORAI1 Q96D31 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL17004377 0.91 MET (0.44) METMAOBHCRTR1ALDH1A1RAB9A
SCHEMBL17004383 0.87 MET (0.49) METALDH1A1RAB9AKMT2AF10
SCHEMBL12922889 0.84 MAOB (0.50) MAOBNPSR1HCRTR1ALDH1A1HPGD
SCHEMBL980169 0.84 MAOB (0.45) METMAOBNPSR1HCRTR1ALDH1A1
SCHEMBL12922936 0.82 MET (0.61) MET
SCHEMBL14609906 0.82 MET (0.60) METMGLL
SCHEMBL980870 0.81 MAOB (0.53) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL981591 0.80 ALDH1A1 (0.57) MAOBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5046607 0.79 MET (0.68) METALDH1A1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5050480 0.78 MET (0.67) METALDH1A1RAB9ASMN1; SMN2LMNA

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-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed