SCHEMBL10974232

SCHEMBL10974232

O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccc(F)cc2)=NC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALB P02768 1/20 0.52
HPGD P15428 1/20 0.47
PDE4D Q08499 1/20 0.47
CHRM1 P11229 1/20 0.44
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
PGR P06401 3/20 0.43
EGFR P00533 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL11394894 0.88 LMNA (0.67) LMNAMEN1KMT2AALBHPGD
SCHEMBL11462262 0.87 LMNA (0.48) LMNAMEN1KMT2AALBHPGD
SCHEMBL13284385 0.85 LMNA (0.61) LMNAMEN1KMT2AALBCHRM1
SCHEMBL10971587 0.84 LMNA (0.54) LMNAMEN1KMT2AALBHPGD
SCHEMBL13284383 0.81 LMNA (0.77) LMNAMEN1KMT2AALBCHRM1
SCHEMBL2615324 0.79 LMNA (0.56) LMNAMEN1KMT2AALBCHRM1
SCHEMBL31365170 0.79 LMNA (0.71) LMNAMEN1KMT2AALBHPGD
SCHEMBL2615325 0.78 LMNA (0.73) LMNAMEN1KMT2AALBCHRM1
SCHEMBL11462390 0.77 LMNA (0.47) LMNAMEN1KMT2AHPGDPDE4D
SCHEMBL11463765 0.77 LMNA (0.47) LMNAMEN1KMT2AALBHPGD

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-0158267-A2 Pharmaceutical composition containing 5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-7-nitro- or 5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one and process for their preparation Dolorgiet Beteiligungs-GmbH (DE) 1985-10-16 EP disclosed