SCHEMBL28577264

SCHEMBL28577264

COc1cccc(CNC(=O)Nc2cccc(Br)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
ROCK2 O75116 5/20 0.63
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
GFER P55789 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
HIF1A Q16665 1/20 0.59
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
ROCK1 Q13464 1/20 0.56
NAMPT P43490 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL29804195 1.00 LMNA (0.66) LMNASMN1; SMN2HPGDROCK2KMT2A
SCHEMBL28411219 0.88 CNR1 (0.69) LMNASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL8176742 0.84 SMN1; SMN2 (0.81) LMNASMN1; SMN2ROCK2KMT2AMEN1
SCHEMBL8177075 0.83 EGFR (0.65) SMN1; SMN2HPGDKMT2AMEN1MAPT
SCHEMBL3815151 0.82 ALDH1A1 (0.72) LMNASMN1; SMN2HPGDROCK2KMT2A
SCHEMBL28577442 0.81 EPHX2 (0.62) LMNASMN1; SMN2ROCK2KMT2AMAPT
SCHEMBL29804233 0.81 EPHX2 (0.62) LMNASMN1; SMN2ROCK2KMT2AMAPT
SCHEMBL27977535 0.80 HPGD (0.69) LMNASMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL11615122 0.79 NAMPT (0.83) LMNASMN1; SMN2ROCK2ALDH1A1GAA
SCHEMBL28571017 0.78 ROCK2 (0.64) LMNASMN1; SMN2ROCK2KMT2AALDH1A1

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
CN-112961081-B Bibenzamide urea compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2022-09-13 CN disclosed
CN-112961081-A Bibenzamide urea compound and preparation method and application thereof 山东第一医科大学(山东省医学科学院) 2021-06-15 CN disclosed