SCHEMBL29804233

SCHEMBL29804233

O=C(NCc1cccc(F)c1)Nc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
MTOR P42345 2/20 0.62
LMNA P02545 1/20 0.62
IDO1 P14902 2/20 0.57
RAB9A P51151 2/20 0.55
ROCK2 O75116 1/20 0.55
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 3/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
MAOB P27338 1/20 0.52
PARP1 P09874 1/20 0.52
IDH1 O75874 1/20 0.52
EGFR P00533 1/20 0.52

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
SCHEMBL28577442 1.00 EPHX2 (0.62) EPHX2MTORLMNAIDO1RAB9A
SCHEMBL14434568 0.90 LMNA (0.73) EPHX2MTORLMNARAB9AROCK2
SCHEMBL8177075 0.86 EGFR (0.65) MTORRAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL14433810 0.84 RAB9A (0.78) EPHX2MTORLMNARAB9AMAPT
SCHEMBL8176987 0.83 LMNA (0.71) EPHX2MTORLMNARAB9AKMT2A
SCHEMBL29804195 0.81 LMNA (0.66) LMNARAB9AROCK2MAPTKMT2A
SCHEMBL28577264 0.81 LMNA (0.66) LMNARAB9AROCK2MAPTKMT2A
SCHEMBL11920201 0.78 SRC (0.65) RAB9AMAPTNPC1POLBEGFR
SCHEMBL11613865 0.77 NAMPT (0.82) MTORLMNARAB9AKMT2ASMN1; SMN2
SCHEMBL881870 0.76 EPHX2 (0.60) EPHX2MTORLMNARAB9AROCK2

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-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