SCHEMBL1031516

SCHEMBL1031516

Cc1cn(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1-c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
HTT P42858 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.46
PGR P06401 2/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1032220 0.90 RAB9A (0.47) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1030274 0.76 POLB (0.46) LMNARAB9AALDH1A1HPGDGAA
SCHEMBL1032230 0.73 ADORA3 (0.55) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1032207 0.73 ADORA3 (0.40) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL1027475 0.72 NPC1 (0.44) LMNANPC1RAB9AALOX15MAPK1
SCHEMBL1031744 0.71 NPC1 (0.49) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL1031918 0.70 ALDH1A1 (0.47) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL1031580 0.69 ALDH1A1 (0.55) LMNASMN1; SMN2NPC1RAB9AHTT
SCHEMBL1031541 0.69 RAB9A (0.53) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1027476 0.68 ALDH1A1 (0.47) LMNAHTTALDH1A1TSHRKDM4E

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
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed