SCHEMBL11835366

SCHEMBL11835366

NNc1cc(Nc2ccc(C(F)(F)F)cc2)c(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ AGPAT2 O15120 1/20 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
▸ CASP1 P29466 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ BCDIN3D Q7Z5W3 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11818693 0.83 MAPT (0.46) AGPAT2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11819244 0.82 JUN (0.41) DHODHAGPAT2MEN1KMT2AKDM4E
SCHEMBL11833599 0.81 MAPT (0.40) AGPAT2MEN1KMT2AKDM4EALDH1A1
SCHEMBL11833640 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL5918466 0.79 CASP1 (0.45) AGPAT2ALDH1A1GAAMAPTCASP1
SCHEMBL11826546 0.77 MAPT (0.53) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11823326 0.74 EPHX2 (0.40) DHODHAGPAT2MEN1KMT2AKDM4E
SCHEMBL11823603 0.74 DHODH (0.42) DHODHAGPAT2MEN1KMT2AABL1
SCHEMBL10265141 0.70 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL1205235 0.68 ALDH1A1 (0.38) KDM4EALDH1A1GAAMAPTL3MBTL1

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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