SCHEMBL19670945

SCHEMBL19670945

C[C@H]1CC[C@]23CC(N)C[C@]12c1ccccc1-c1ccccc13

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL19671035 0.74 KMT2A (0.40) KMT2AKDM1AMAOB
SCHEMBL19325238 0.66 PDK2 (0.42)
SCHEMBL18723374 0.64 KMT2A (0.36) KMT2AKDM1A
SCHEMBL30949491 0.59 KMT2A (0.42) KMT2AKDM1AMAOBOPRL1
SCHEMBL1801561 0.59 THRB (0.43) KMT2AKDM1A
SCHEMBL22298370 0.58 HDAC4 (0.36) KDM1AMAOBOPRL1
SCHEMBL24183373 0.58 KDM4E (0.32)
SCHEMBL18383337 0.56 PDK2 (0.44) KMT2A
SCHEMBL29386757 0.56 PDK2 (0.44) KMT2A
SCHEMBL17963532 0.54 KDM1A (0.50) KDM1AMAOBOPRL1

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
US-9837612-B2 Polymer compound and light-emitting device using same SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2017-12-05 US disclosed