SCHEMBL28295486

SCHEMBL28295486

O=C(NCc1ccccc1Cl)c1cccc(Cc2ccccc2)c1Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
ALDH1A1 P00352 3/20 0.55
MAPK8 P45983 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RCE1 Q9Y256 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL6355282 0.82 L3MBTL1 (0.60) L3MBTL1ALDH1A1MAPK8TDP1KMT2A
SCHEMBL30141188 0.76 TSHR (0.57) ALDH1A1CA1CA2
SCHEMBL5364748 0.74 HPGD (0.78) L3MBTL1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL3561653 0.74 NPC1 (0.75) L3MBTL1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL29994178 0.74 ALDH1A1 (0.68) L3MBTL1ALDH1A1MAPK8TDP1KMT2A
SCHEMBL14727425 0.74 ALDH1A1 (0.68) L3MBTL1ALDH1A1MAPK8TDP1KMT2A
SCHEMBL2305929 0.74 L3MBTL1 (0.63) L3MBTL1ALDH1A1MAPK8TDP1KMT2A
SCHEMBL6355306 0.73 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPK8TDP1NPC1
SCHEMBL2912570 0.73 SMN1; SMN2 (0.82) L3MBTL1ALDH1A1MAPK8TDP1KMT2A
SCHEMBL5860823 0.73 NPC1 (0.71) L3MBTL1ALDH1A1KMT2ANPC1RAB9A

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-109651179-A 2- (2- amino benzoyl) benzoic acid derivative and preparation method thereof 厦门华厦学院 2019-04-19 CN disclosed