SCHEMBL11867426

SCHEMBL11867426

CCC(C)n1c(C)nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLP1R P43220 1/20 0.32
▸ DCTPP1 Q9H773 6/20 0.32
▸ VEGFA P15692 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ S1PR4 O95977 1/20 0.30

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
SCHEMBL11857518 0.90 EPAS1 (0.33) EPAS1LMNAHPGDSMN1; SMN2GLP1R
SCHEMBL11863601 0.89 DCTPP1 (0.36) EPAS1LMNAHPGDSMN1; SMN2GLP1R
SCHEMBL11859049 0.89 CYP1A2 (0.37) EPAS1LMNAHPGDSMN1; SMN2GLP1R
SCHEMBL11863525 0.88 EPAS1 (0.32) EPAS1LMNAGLP1RVEGFA
SCHEMBL11818540 0.85 ALDH1A1 (0.32) EPAS1GLP1RVEGFACYP3A4ALDH1A1
SCHEMBL11810808 0.82 LMNA (0.39) EPAS1LMNAHPGDSMN1; SMN2DCTPP1
SCHEMBL11860310 0.81 EPAS1 (0.33) EPAS1LMNAHPGDGLP1RVEGFA
SCHEMBL11869452 0.81 EPAS1 (0.37) EPAS1LMNAHPGDSMN1; SMN2DCTPP1
SCHEMBL11811344 0.81 DHFR (0.30) ABL1
SCHEMBL11862605 0.81 EPAS1 (0.35) EPAS1HPGDGLP1RDCTPP1VEGFA

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
Send feedback