SCHEMBL10586602

SCHEMBL10586602

[CH2]C1CC(c2ccc(Cl)cc2)=NO1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 3/20 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
SCHEMBL8578277 0.81 MAOB (0.50) KMT2AMEN1MAOB
SCHEMBL6156845 0.81 POLB (0.57) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL6155050 0.81 CA1 (0.50) CA1CA2
SCHEMBL14952332 0.78 CA1 (0.53) CA1CA2NPC1RAB9ANOTUM
SCHEMBL2776741 0.78 CA1 (0.53) CA1CA2NPC1RAB9ANOTUM
SCHEMBL28564102 0.75 NPC1 (0.65) CA1CA2NPC1RAB9AKMT2A
SCHEMBL12294594 0.75 NPC1 (0.65) CA1CA2NPC1RAB9AKMT2A
SCHEMBL21066127 0.74 NPC1 (0.49) CA1CA2NPC1RAB9ANOTUM
SCHEMBL3984065 0.74 NPC1 (0.59) CA1CA2NPC1RAB9AKMT2A
SCHEMBL14880239 0.73 MAOB (0.52) CA1CA2NPC1RAB9AKMT2A

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-0313997-A2 Medicine, therein contained phosphor containing 2-isoxazolidines and isoxazoles, as well as process for preparing those heterocyclic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-03 EP disclosed