SCHEMBL21020973

SCHEMBL21020973

C=C(Nc1ccc(F)cc1C#N)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
RORC P51449 9/20 0.47
TP53 P04637 2/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
PPARG P37231 2/20 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
MTOR P42345 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
SCHEMBL18147742 0.89 RORC (0.61) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL30739899 0.89 RORC (0.61) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL21021597 0.74 RORC (0.48) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL18146151 0.74 RORC (0.70) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL18147362 0.74 VCAM1 (0.48) VCAM1RORCTP53MAPTKMT2A
SCHEMBL21022149 0.74 VCAM1 (0.43) VCAM1RORCTP53MAPTKMT2A
SCHEMBL7130616 0.74 RORC (0.70) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL18146244 0.73 RORC (0.76) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL30739580 0.73 RORC (0.76) RORCTP53MAPTKMT2ASMN1; SMN2
SCHEMBL18146435 0.73 KMT2A (0.60) TP53MAPTKMT2ASMN1; SMN2LMNA

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-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed