SCHEMBL11823326

SCHEMBL11823326

NNc1nnc(Cl)cc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ DHODH Q02127 2/20 0.38

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
SCHEMBL11822532 0.83 MAPT (0.46) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11819244 0.82 JUN (0.41) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11824349 0.81 SYK (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11823327 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL11823944 0.79 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11827111 0.77 NPC1 (0.40) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11821784 0.77 MAPT (0.48) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11827688 0.77 EPHX2 (0.41) EPHX2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11825945 0.75 MEN1 (0.37) EPHX2MEN1KMT2AALDH1A1GAA
SCHEMBL11835366 0.74 DHODH (0.40) EPHX2MEN1KMT2AKDM4EALDH1A1

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-3978057-A HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1976-08-31 — — US disclosed
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