SCHEMBL11510293

SCHEMBL11510293

O=C1CN=C(c2c(F)cccc2F)c2cc(Cl)sc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABRA1 P14867 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA2 P47869 5/20 0.45
GABRB2 P47870 4/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 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
SCHEMBL11508834 0.88 LMNA (0.61) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL11507611 0.85 CHRM1 (0.46) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL7412915 0.81 PDE4D (0.59) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL7315953 0.80 GABRA1 (0.60) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL11512290 0.77 LMNA (0.44) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL11508830 0.77 ADRA1A (0.56) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL7323441 0.76 LMNA (0.77) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL11508404 0.74 GABRA1 (0.58) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL11507176 0.72 CHRM1 (0.61) LMNAALDH1A1NPSR1GABRA1GABRA5
SCHEMBL23927174 0.71 GABRA1 (0.55) LMNAKMT2AMEN1GABRA1GABRA5

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-4155913-A ANTICONBULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed