SCHEMBL21758648

SCHEMBL21758648

C=C(CCC#N)CCc1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL536225 0.79 — —
SCHEMBL21758754 0.73 KEAP1 (0.44) MAOAMEN1KMT2A
SCHEMBL21758850 0.71 TSHR (0.40) MEN1KMT2A
SCHEMBL59407 0.70 ALDH1A1 (0.44) —
SCHEMBL7172295 0.67 MAOA (0.42) MAOA
SCHEMBL21758755 0.67 GFER (0.43) MAOAMEN1KMT2A
SCHEMBL3490675 0.67 — —
SCHEMBL735832 0.66 TSHR (0.53) —
SCHEMBL23981734 0.66 RAB9A (0.42) —
Hydrochloric Acid SCHEMBL29964022 0.65 — —

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
WO-2021221760-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS NORTHWESTERN UNIVERSITY (US) 2021-11-04 — — WO disclosed
WO-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 — — WO disclosed
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