SCHEMBL21758848

SCHEMBL21758848

C=C(CCC#N)c1ccnc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.35
FFAR1 O14842 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
FOLH1 Q04609 1/20 0.31
PFKFB3 Q16875 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL21758833 0.76 ALDH1A1 (0.38)
SCHEMBL21758843 0.69 MEN1 (0.30)
SCHEMBL23681163 0.69 ALDH1A1 (0.39) LOXL2FFAR1TAS1R3TAS1R1TAS1R2
SCHEMBL21758828 0.69 MAOA (0.44)
SCHEMBL15922749 0.69 TAS1R3 (0.41) LOXL2FFAR1TAS1R3TAS1R1TAS1R2
SCHEMBL10491649 0.68 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2FOLH1
SCHEMBL21758757 0.66 GSK3B (0.43) LOXL2
SCHEMBL21758846 0.66 CYP19A1 (0.41)
SCHEMBL21758849 0.66 ALDH1A1 (0.37)
SCHEMBL21758758 0.66 TP53 (0.37)

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