SCHEMBL19671035

SCHEMBL19671035

NC1C[C@]23CCC[C@@]2(C1)c1ccccc1-c1ccccc13

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KDM1A O60341 6/20 0.39
MAOB P27338 4/20 0.38
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
MAOA P21397 2/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL1801561 0.81 THRB (0.43) KMT2AKDM1ATHRBTDP1KDM4E
SCHEMBL18723374 0.81 KMT2A (0.36) KMT2AKDM1ATHRBTDP1
SCHEMBL19670945 0.74 KMT2A (0.33) KMT2AKDM1AMAOB
SCHEMBL29470987 0.68 THRB (0.43) KMT2ATHRBTDP1KDM4EMEN1
SCHEMBL29470989 0.68 THRB (0.43) KMT2ATHRBTDP1KDM4EMEN1
SCHEMBL19321781 0.67 PDK2 (0.50) KDM1ATHRBTDP1KDM4EMAPT
SCHEMBL19320311 0.67 PDK2 (0.50) KDM1ATHRBTDP1KDM4EMAPT
SCHEMBL18462389 0.64 PDK2 (0.51) KMT2ATHRBTDP1MEN1LMNA
SCHEMBL30949491 0.64 KMT2A (0.42) KMT2AKDM1AMAOBKDM4EMEN1
SCHEMBL29473421 0.63 PGR (0.45) KMT2ATHRBTDP1KDM4EMEN1

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