SCHEMBL9711712

SCHEMBL9711712

O=C1CCNC(=O)C1C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
PPARG P37231 2/20 0.44
ALOX15 P16050 1/20 0.44
PPARA Q07869 1/20 0.44
RORC P51449 4/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 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
SCHEMBL9711456 0.85 ALDH1A1 (0.41) SMN1; SMN2CYP3A4RORCLMNAKMT2A
SCHEMBL9711540 0.84 HPD (0.49) SMN1; SMN2CYP3A4MAPK1LMNAKMT2A
SCHEMBL9711477 0.80 HPD (0.42) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL9711632 0.79 CES1 (0.45) MAPK1MAPTTSHRALDH1A1
SCHEMBL9711516 0.78 HPD (0.48) SMN1; SMN2CYP3A4LMNAKMT2AMAPT
SCHEMBL9711489 0.78 CES2 (0.50) LMNAKMT2AMAPTMEN1TP53
SCHEMBL9711723 0.77 HPD (0.40) LMNAKMT2AMAPTMEN1PKM
SCHEMBL9711455 0.76 CES2 (0.42) KMT2AMAPTALDH1A1
SCHEMBL9711486 0.74 ALDH1A1 (0.44) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL9711583 0.74 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1KMT2AMAPTMEN1

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