SCHEMBL11863525

SCHEMBL11863525

CCc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2n1C(C)CC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.32
▸ GLP1R P43220 1/20 0.32
▸ VEGFA P15692 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11860310 0.91 EPAS1 (0.33) EPAS1GLP1RVEGFAMEN1LMNA
SCHEMBL11867426 0.88 EPAS1 (0.32) EPAS1GLP1RVEGFALMNA
SCHEMBL11818540 0.85 ALDH1A1 (0.32) EPAS1GLP1RVEGFAMAPT
SCHEMBL11867650 0.83 MEN1 (0.38) EPAS1GLP1RVEGFAMEN1LMNA
SCHEMBL11857518 0.81 EPAS1 (0.33) EPAS1GLP1RVEGFALMNA
SCHEMBL11859839 0.81 CYP1A2 (0.35) MEN1LMNAMAPTHTTKMT2A
SCHEMBL11862605 0.80 EPAS1 (0.35) EPAS1GLP1RVEGFA
SCHEMBL11863601 0.79 DCTPP1 (0.36) EPAS1GLP1RVEGFALMNA
SCHEMBL11863095 0.78 EPAS1 (0.34) EPAS1GLP1RVEGFA
SCHEMBL11859049 0.77 CYP1A2 (0.37) EPAS1GLP1RVEGFALMNAHTT

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
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
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