SCHEMBL28049871

SCHEMBL28049871

O=C(NCc1ccc(NC(=O)c2ccc(Cl)nc2)cc1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
RAB9A P51151 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CTNNB1 P35222 2/20 0.58
TCF7L2 Q9NQB0 2/20 0.58
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
MAPT P10636 2/20 0.56
BACE1 P56817 1/20 0.56
HDAC1 Q13547 1/20 0.56
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
NAMPT P43490 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
SCHEMBL27822779 0.86 L3MBTL1 (0.81) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28443041 0.84 L3MBTL1 (0.74) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4177141 0.84 RAB9A (0.68) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5083105 0.84 L3MBTL1 (0.74) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4067449 0.84 L3MBTL1 (1.00) L3MBTL1RAB9ASMN1; SMN2LMNACACNA1B
SCHEMBL4740747 0.82 RAB9A (0.64) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31023556 0.82 L3MBTL1 (0.84) L3MBTL1RAB9ASMN1; SMN2KCNQ3KCNQ2
SCHEMBL1986996 0.82 KCNQ3 (0.82) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5215207 0.82 KCNQ3 (0.81) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3237638 0.82 CTNNB1 (0.54) L3MBTL1RAB9ASMN1; SMN2CTNNB1TCF7L2

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-105601563-A 6-chloro-N-(4-(6-chloro-nicotinamide)benzyl) nicotinamide, and preparation and application thereof UNIV ZHEJIANG TECHNOLOGY 2016-05-25 CN disclosed
CN-105601563-A 6-chloro-N-(4-(6-chloro-nicotinamide)benzyl) nicotinamide, and preparation and application thereof UNIV ZHEJIANG TECHNOLOGY 2016-05-25 CN disclosed