SCHEMBL18106978

SCHEMBL18106978

O=C(Nc1cccc(Cl)c1)ON1CCc2[nH]c3ncc(Cl)cc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 2/20 0.40
MAPT P10636 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39

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
SCHEMBL18106977 0.90 LIMK2 (0.43) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106968 0.89 MAPT (0.47) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106979 0.85 TRPV1 (0.42) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106972 0.85 MAPT (0.43) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106973 0.84 MAPT (0.39) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL10139888 0.83 MEN1 (0.57) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106981 0.82 MAPT (0.57) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL18106976 0.81 PTK6 (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL10139838 0.75 BAZ2B (0.50) BAZ2BMAPTMEN1KMT2AGAA
SCHEMBL10139880 0.75 MEN1 (0.56) BAZ2BMAPTMEN1KMT2AGAA

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-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed