SCHEMBL1034078

SCHEMBL1034078

Cc1ccc(C(=O)c2c(C)cn(Cc3ccc(F)cc3)c2C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 2/20 0.44
HTT P42858 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CETP P11597 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1031603 0.87 CNR2 (0.47) MAPTSMN1; SMN2TP53POLBCNR2
SCHEMBL1029484 0.86 HSD11B1 (0.47) ALDH1A1
SCHEMBL1028175 0.82 TP53 (0.52) MAPTSMN1; SMN2TP53POLBCNR2
SCHEMBL1030828 0.81 MAPT (0.47) MAPTSMN1; SMN2POLBGAAMAPK1
SCHEMBL1032620 0.80 HTT (0.53) MAPTSMN1; SMN2TP53POLBCNR2
SCHEMBL1031902 0.79 LMNA (0.45) MAPTSMN1; SMN2TP53POLBHTT
SCHEMBL1031510 0.79 MEN1 (0.51) MEN1KMT2A
SCHEMBL1030438 0.77 MEN1 (0.61) MAPTSMN1; SMN2POLBHTTLMNA
SCHEMBL1031811 0.76 HPGD (0.54) MAPTSMN1; SMN2TP53POLBCNR2
SCHEMBL1031573 0.73 KMT2A (0.52) MAPTTP53LMNAALDH1A1MEN1

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