SCHEMBL9711540

SCHEMBL9711540

O=C1CCNC(=O)C1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR35 Q9HC97 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL9711660 0.86 HPD (0.51) HPDPOLBMAPTALDH1A1
SCHEMBL9711711 0.86 HPD (0.48) HPDMAPTALDH1A1MAPK1GPR35
SCHEMBL9711707 0.86 HPD (0.48) HPDMAPTCYP3A4ALDH1A1HPGD
SCHEMBL9711516 0.86 HPD (0.48) HPDMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL9711616 0.84 HPD (0.46) HPDPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL9711602 0.84 HPD (0.46) HPDMAPTMAPK1LMNAKMT2A
SCHEMBL9711456 0.84 ALDH1A1 (0.41) POLBMAPTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL9711712 0.84 SMN1; SMN2 (0.44) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL9711453 0.83 HPD (0.73) HPDMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL8467136 0.83 HPD (0.46) HPDMAPTALDH1A1MAPK1LMNA

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
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed