SCHEMBL16601836

SCHEMBL16601836

O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCCO)c64)C(=O)N(c1ccccc1CO)C5=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
RGS12 O14924 1/20 0.54
LMNA P02545 1/20 0.54
PABPC1 P11940 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TERT O14746 6/20 0.49
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
AVPR1A P37288 1/20 0.41
BRD1 O95696 2/20 0.41
TAF1 P21675 2/20 0.41

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
SCHEMBL16417481 0.83 NR1H2 (0.50) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL14303164 0.83 KDM4E (0.77) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL16784572 0.82 KDM4E (0.59) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL16601772 0.80 NR1H3 (0.50) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL16601811 0.79 ANPEP (0.50) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL16601826 0.79 POLB (0.43) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL14309279 0.78 KDM4E (0.86) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL14302831 0.77 KDM4E (0.83) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL21477284 0.77 KDM4E (0.89) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL17718739 0.76 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AKDM4EHTT

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed