SCHEMBL7513938

SCHEMBL7513938

CC(=O)NC(=Cc1ccc(Cl)cc1)C(=O)NCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.52
HTT P42858 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 5/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
RAD52 P43351 2/20 0.52
MITF O75030 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
MALT1 Q9UDY8 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL7513935 1.00 MAPK1 (0.52) MAPK1HTTSMN1; SMN2KDM4EKMT2A
SCHEMBL847480 0.93 MAPK1 (0.51) MAPK1HTTSMN1; SMN2KDM4EKMT2A
SCHEMBL847415 0.83 KMT2A (0.45) MAPK1HTTSMN1; SMN2KMT2ALMNA
SCHEMBL847404 0.80 SMN1; SMN2 (0.57) MAPK1HTTSMN1; SMN2KDM4EKMT2A
SCHEMBL7508444 0.77 ALDH1A1 (0.81) MAPK1HTTSMN1; SMN2KDM4EKMT2A
SCHEMBL12015276 0.74 KMT2A (0.75) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL2458059 0.72 HDAC3 (0.53) HTTMAPTALDH1A1CYP1A2HDAC3
SCHEMBL2458057 0.72 HDAC3 (0.53) HTTMAPTALDH1A1CYP1A2HDAC3
SCHEMBL22645349 0.71 MAPT (0.55) MAPK1HTTSMN1; SMN2KMT2AMAPT
SCHEMBL27569641 0.70 HDAC3 (0.50) MAPK1SMN1; SMN2KMT2AMAPTLMNA

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
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP claimed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO claimed