SCHEMBL17152485

SCHEMBL17152485

C[C@@H](C[CH]C(=O)Nc1ccc(F)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 3/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL17152538 0.83 TGM2 (0.54) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17152216 0.82 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL17152571 0.80 HTT (0.50) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL17152509 0.80 HPGD (0.51) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL28108366 0.76 TGM2 (0.59) TGM2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7391823 0.74 CACNA1B (0.52) MEN1KMT2ASMN1; SMN2
SCHEMBL18421181 0.73 HRH3 (0.45) ALDH1A1KMT2AMAPTGAATP53
SCHEMBL17152412 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5567507 0.72 P2RY1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17152443 0.72 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTMMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
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