SCHEMBL7293243

SCHEMBL7293243

COC(=O)c1c(C)[nH]c(C)c1-c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
HTT P42858 3/20 0.58
GAA P10253 3/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 4/20 0.51
NR4A2 P43354 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
AXL P30530 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7290138 0.89 LMNA (0.54) LMNAHTTGAATSHRALDH1A1
SCHEMBL7297776 0.78 LMNA (0.58) LMNAHTTGAATSHRALDH1A1
SCHEMBL6468908 0.76 LMNA (0.94) LMNAHTTGAATSHRALDH1A1
SCHEMBL7299177 0.75 LMNA (0.65) LMNAHTTGAATSHRALDH1A1
SCHEMBL6468314 0.74 LMNA (0.69) LMNAHTTGAATSHRALDH1A1
SCHEMBL10720116 0.73 LMNA (0.64) LMNAHTTGAATSHRALDH1A1
SCHEMBL15175716 0.73 NR4A2 (0.60) LMNAHTTGAATSHRALDH1A1
SCHEMBL10717437 0.71 HTT (0.67) LMNAHTTGAATSHRALDH1A1
SCHEMBL4072715 0.71 KDM4E (0.51) LMNAHTTGAAALDH1A1POLB
SCHEMBL6469625 0.71 LMNA (0.69) LMNAHTTGAATSHRALDH1A1

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-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP claimed
EP-0300688-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1989-01-25 EP disclosed