SCHEMBL9524448

SCHEMBL9524448

O=C(NCc1ccccc1)Oc1nnc2ccccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.46
MGLL Q99685 1/20 0.44
EPHX1 P07099 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
NSD2 O96028 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ASAH1 Q13510 1/20 0.40
TACR3 P29371 1/20 0.40

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
SCHEMBL9524931 0.90 FAAH (0.44) NPC1RAB9A
SCHEMBL9523698 0.88 RAB9A (0.49) EPHX1NPC1RAB9A
SCHEMBL9525182 0.87 GABRP (0.42) NCEH1
SCHEMBL9527439 0.87 SMN1; SMN2 (0.43) NCEH1MGLLEPHX1NPC1RAB9A
SCHEMBL9524845 0.87 PLA2G2A (0.41) NCEH1MGLLEPHX1RAB9A
SCHEMBL9524784 0.85 TACR3 (0.46) NPC1RAB9ATACR3
SCHEMBL9525680 0.81 HTT (0.43) RAB9A
SCHEMBL9524773 0.81 NCEH1 (0.49) NCEH1MGLL
SCHEMBL9524918 0.80 RAD52 (0.42)
SCHEMBL9525228 0.78 HTT (0.47) NPC1RAB9A

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-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed