SCHEMBL29200425

SCHEMBL29200425

O=C(Nc1cccc(CCl)c1)c1ccccc1Br

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.64
KMT2A Q03164 2/20 0.63
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 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
SCHEMBL30802666 1.00 F2R (0.64) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL29200396 0.87 F2R (0.65) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL30802667 0.87 F2R (0.65) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL30802662 0.84 KCNK3 (0.65) F2RKMT2AALDH1A1RXFP1MEN1
SCHEMBL29200410 0.84 KCNK3 (0.65) F2RKMT2AALDH1A1RXFP1MEN1
SCHEMBL13593288 0.80 F2R (0.57) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL30802733 0.78 KMT2A (0.66) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29200414 0.78 KMT2A (0.66) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10069444 0.78 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL29200401 0.78 CA12 (0.53) KMT2AALDH1A1MEN1

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-117658868-A Benzamide derivative and preparation method and application thereof 中山大学 2024-03-08 CN disclosed