SCHEMBL14960451

SCHEMBL14960451

Cc1ccccc1NC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
LMNA P02545 1/20 0.71
HPGD P15428 1/20 0.71
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.63
TP53 P04637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.58
THRB P10828 1/20 0.57

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
SCHEMBL2556482 0.83 ALDH1A1 (0.69) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL25436481 0.82 ALDH1A1 (0.65) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL4293558 0.82 ALDH1A1 (0.80) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL4912964 0.82 NPC1 (0.80) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL12555378 0.80 NPC1 (0.64) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL12218454 0.79 ALDH1A1 (0.55) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL11691133 0.79 MAPT (0.58) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL16655883 0.79 NPC1 (0.74) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL7662976 0.78 NPC1 (0.62) MAPTL3MBTL1LMNAHPGDNPC1
SCHEMBL21436507 0.78 RAB9A (0.66) MAPTL3MBTL1LMNAHPGDNPC1

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
US-8445517-B2 Stat modulators DANA-FARBER CANCER INSTITUTE (US) 2013-05-21 US disclosed