SCHEMBL16656197

SCHEMBL16656197

O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCSCCO)C(=O)N(C(CO)Cc1ccccc1)C3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42
PABPC1 P11940 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.38
IDO1 P14902 1/20 0.38
CASP3 P42574 2/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL16417482 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL16656199 0.83 KDM4E (0.46) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL15764209 0.82 KDM4E (0.44) ALDH1A1RAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL21226294 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL21449400 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ARGS12
SCHEMBL16656201 0.78 TDP1 (0.49) ALDH1A1GAAIDO1TDP1L3MBTL1
SCHEMBL3444977 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1237353 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1237351 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16864807 0.76 NTRK1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed