SCHEMBL11866540

SCHEMBL11866540

CCn1c(CCO)nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ EPAS1 Q99814 2/20 0.32
▸ VEGFA P15692 1/20 0.32
▸ KIF11 P52732 4/20 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

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
SCHEMBL11865094 0.92 ABL1 (0.37) LMNAMAPTHTTNPSR1MEN1
SCHEMBL11813265 0.85 ALDH1A1 (0.36) LMNAMAPTHTTNPSR1MEN1
SCHEMBL11810808 0.84 LMNA (0.39) LMNAMAPTHTTNPSR1MEN1
SCHEMBL11816808 0.81 ALDH1A1 (0.38) LMNAMAPTHTTNPSR1NPC1
SCHEMBL11855873 0.81 S1PR1 (0.35) LMNAMAPTHTTNPSR1ABL1
SCHEMBL11867059 0.81 KMT2A (0.40) LMNAKMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11819346 0.80 ALDH1A1 (0.34) LMNAMAPTHTTNPSR1NPC1
SCHEMBL11819343 0.80 KCNH2 (0.41) LMNAMAPTHTTNPSR1NPC1
SCHEMBL11867650 0.77 MEN1 (0.38) LMNAMAPTHTTNPSR1MEN1
SCHEMBL11860310 0.77 EPAS1 (0.33) LMNAMAPTHTTNPSR1MEN1

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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