SCHEMBL18153986

SCHEMBL18153986

NC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PARP1 P09874 2/20 0.48
CCR5 P51681 2/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 1/20 0.45
KDR P35968 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL4649097 0.87 MEN1 (0.60) CYP19A1PARP1KMT2AMEN1MAPT
SCHEMBL4412940 0.87 MAOB (0.51) CYP19A1LMNAHTTCCR5RAB9A
SCHEMBL1577995 0.81 CYP19A1 (0.60) CYP19A1LMNARAB9AKMT2AMEN1
SCHEMBL18154011 0.80 LMNA (0.54) LMNAHTTPARP1RAB9AMAOB
SCHEMBL3297599 0.80 CYP19A1 (0.62) CYP19A1LMNAHTTKMT2AMEN1
SCHEMBL31193460 0.79 CYP19A1 (0.58) CYP19A1LMNACCR5RAB9AKMT2A
SCHEMBL1578358 0.79 CYP19A1 (0.58) CYP19A1LMNACCR5RAB9AKMT2A
SCHEMBL15486428 0.79 POLB (0.54) LMNAHTTMITFRAB9AKMT2A
SCHEMBL1578513 0.78 CYP19A1 (0.63) CYP19A1LMNAHTTRAB9AKMT2A
SCHEMBL29227165 0.77 CYP19A1 (0.56) CYP19A1LMNACCR5RAB9AKMT2A

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
EP-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP disclosed
WO-2016168059-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-10-20 WO disclosed