SCHEMBL27684201

SCHEMBL27684201

CC(=O)Nc1ccc([As](=O)(O)OO)cc1.c1ccc(COc2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 1/20 0.50
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
F10 P00742 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 1/20 0.46
MAOB P27338 1/20 0.46
HDAC4 P56524 1/20 0.45
DHODH Q02127 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL27684202 0.82 PKM (0.57) MEN1KMT2ALMNANR1H4NPC1
Benzene SCHEMBL28089344 0.78 KMT2A (0.64) MEN1KMT2ALMNANR1H4NPC1
(Chloromethyl)Benzene SCHEMBL27444948 0.78 KMT2A (0.50) MEN1KMT2ALMNANPC1RAB9A
Phenylacetic Acid SCHEMBL27601689 0.78 KMT2A (0.50) KMT2ALMNANR1H4NPC1RAB9A
Phenol SCHEMBL27593878 0.77 KMT2A (0.55) MEN1KMT2ALMNANR1H4NPC1
SCHEMBL27348049 0.77 SMN1; SMN2 (0.52) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL10599853 0.76 MEN1 (0.79) MEN1KMT2ALMNANR1H4NPC1
SCHEMBL27290130 0.76 KMT2A (0.68) MEN1KMT2ALMNANR1H4NPC1
SCHEMBL3675252 0.76 RAB9A (0.65) MEN1KMT2ALMNANR1H4NPC1
Toluene SCHEMBL28309354 0.75 KMT2A (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-101084178-B (biphenyl) carboxylic acids and derivatives thereof CELLZOME AG 2012-03-28 CN disclosed
CN-101084178-A (Biphenyl) carboxylic acids and derivatives thereof CELLZOME AG (DE) 2007-12-05 CN disclosed