SCHEMBL1031458

SCHEMBL1031458

Cc1cn(C)c(C(=O)NCCc2ccc(Cl)c(Cl)c2)c1-c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.45
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SCD5 Q86SK9 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 3/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ALOX15 P16050 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LIPC P11150 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
THRB P10828 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL1031918 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1031541 0.78 RAB9A (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1032676 0.74 ADORA3 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1030582 0.73 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL1030443 0.73 RAB9A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1032230 0.72 ADORA3 (0.55) ALDH1A1SMN1; SMN2LMNAUSP2POLB
SCHEMBL1032651 0.72 KMT2A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1030837 0.71 NPC1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1032220 0.71 RAB9A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1031580 0.71 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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