SCHEMBL8972507

SCHEMBL8972507

CC(O)N1CNc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 8/20 0.36
▸ GAA P10253 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NSD2 O96028 1/20 0.32

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
SCHEMBL8973254 0.78 KMT2A (0.38) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL21368249 0.75 KDM4E (0.55) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL6934957 0.71 KMT2A (0.39) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL8972513 0.70 SLC6A2 (0.41) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL23870613 0.68 KMT2A (0.39) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL10094143 0.67 BRPF1 (0.42) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL24635797 0.66 AVPR1A (0.42) KMT2AGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL8756210 0.66 KMT2A (0.43) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL10604558 0.65 KMT2A (0.37) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL10604575 0.64 KMT2A (0.36) KMT2AKDM4EGAAALDH1A1MAPT

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-0703223-A2 Hair dye composition HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-27 — — EP disclosed
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