SCHEMBL9766168

SCHEMBL9766168

COc1[c]c(-c2c(F)cccc2Cl)no1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
SCN9A Q15858 1/20 0.38
ATM Q13315 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1679666 0.82 LMNA (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL19900445 0.74 POLB (0.40) ALDH1A1KMT2APOLBHPGDMAPT
SCHEMBL1326560 0.69 ALDH1A1 (0.44) ALDH1A1LMNAKMT2APOLBGPBAR1
SCHEMBL11911198 0.68 LMNA (0.57) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL11368118 0.68 LMNA (0.57) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL19802451 0.67 HSP90AA1 (0.46) LMNAKMT2AMEN1POLBMAPT
SCHEMBL11893412 0.66 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL14363623 0.66 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2LMNAKMT2AGPBAR1
SCHEMBL1179711 0.66 NR1H4 (0.38) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL10774901 0.66 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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
US-5064649-A CEPHALOSPORIN DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-11-12 US claimed