SCHEMBL27613249

SCHEMBL27613249

Nc1ccccc1C(=O)OC(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ FABP4 P15090 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ CFTR P13569 1/20 0.53
▸ MAPK13 O15264 4/20 0.49
▸ MAPK12 P53778 4/20 0.49
▸ MAPK11 Q15759 4/20 0.49
▸ MAPK14 Q16539 4/20 0.49
▸ SIRT2 Q8IXJ6 6/20 0.48

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
SCHEMBL27633707 0.84 MAPT (0.68) MAPTALOX15FABP4MEN1KMT2A
Methane SCHEMBL28067407 0.83 MAPT (0.66) MAPTALOX15FABP4MEN1KMT2A
SCHEMBL11840447 0.83 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
Fenamic Acid SCHEMBL27613250 0.82 FABP4 (0.74) MAPTALOX15FABP4ALDH1A1MEN1
SCHEMBL2367627 0.81 ALDH1A1 (0.69) MAPTALOX15ALDH1A1MEN1KMT2A
SCHEMBL27422765 0.79 ALDH1A1 (0.67) MAPTALOX15ALDH1A1MEN1KMT2A
SCHEMBL31914 0.78 MAPT (1.00) MAPTALOX15FABP4ALDH1A1MEN1
SCHEMBL10743516 0.76 MAPT (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27422766 0.76 ALDH1A1 (0.58) MAPTALOX15ALDH1A1MEN1KMT2A
SCHEMBL28056289 0.76 ALDH1A1 (0.62) MAPTALOX15ALDH1A1MEN1KMT2A

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
CN-1732148-B Process for preparing nitrile compound from olefinic unsaturated compound RHODIA POLYAMIDE INTERMEDIATES 2012-10-31 — — CN disclosed
CN-1732148-A Process for preparing nitrile compound from olefinic unsaturated compound RHODIA POLYAMIDE INTERMEDIATES (FR) 2006-02-08 — — CN disclosed
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