SCHEMBL21130445

SCHEMBL21130445

CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(ccc2ccccc12)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.37
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
OPRM1 P35372 2/20 0.33
NSD2 O96028 1/20 0.33
OPRD1 P41143 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SOS1 Q07889 1/20 0.33

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
SCHEMBL20419970 0.94 MAPT (0.39) DNMT1MAPTMEN1KMT2AKDM4E
SCHEMBL21130128 0.92 MAPT (0.40) DNMT1MAPTMEN1KMT2AKDM4E
SCHEMBL15505785 0.89 PDK2 (0.38) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL29892420 0.89 DNMT1 (0.42) DNMT1MAPTMEN1KMT2AKDM4E
SCHEMBL13765088 0.89 DNMT1 (0.42) DNMT1MAPTMEN1KMT2AKDM4E
SCHEMBL17070709 0.88 PDK2 (0.37) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL22402068 0.88 PDK2 (0.33) DNMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL19901497 0.88 HPRT1 (0.35) DNMT1MAPTMEN1KMT2AKDM4E
SCHEMBL22402065 0.87 HSP90AA1 (0.37) MAPTMEN1KMT2ACYP1B1CYP2A6
SCHEMBL15505757 0.85 CYP2A6 (0.36) DNMT1MAPTMEN1KMT2AKDM4E

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-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed