SCHEMBL28409688

SCHEMBL28409688

COc1ncccc1C(=O)NCc1cccc(C)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MMP13 P45452 1/20 0.56
MAPK8 P45983 1/20 0.56
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.50

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
SCHEMBL30989963 0.87 HPGD (0.65) HPGDKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL18715343 0.86 HPGD (0.79) HPGDKMT2ALMNAALDH1A1KDM4E
SCHEMBL922567 0.82 HPGD (0.68) HPGDKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL30175252 0.82 HPGD (0.69) HPGDKMT2ALMNAALDH1A1KDM4E
SCHEMBL8373056 0.81 HPGD (0.72) HPGDKMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL28239376 0.80 HPGD (0.63) HPGDKMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL29936750 0.80 HPGD (0.74) HPGDKMT2ALMNAALDH1A1KDM4E
SCHEMBL28404148 0.80 HPGD (0.74) HPGDKMT2ALMNAALDH1A1KDM4E
SCHEMBL8756555 0.79 MAPK8 (0.78) HPGDKMT2AALDH1A1KDM4EMAPK8
SCHEMBL7015936 0.79 MMP13 (0.68) HPGDLMNAALDH1A1KDM4EHSD17B10

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
CN-111202068-A N-benzyl benzamide compound and preparation method and application thereof 西北农林科技大学 2020-05-29 CN disclosed