SCHEMBL27440679

SCHEMBL27440679

CC(=O)/C(C#N)=C/c1cn(Cc2cccc(C)c2)c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.58
▸ SNCA P37840 5/20 0.58
▸ ENPP2 Q13822 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ THRB P10828 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ELANE P08246 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC16A1 P53985 1/20 0.40
▸ GLA P06280 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
SCHEMBL27440345 0.92 APP (0.60) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL27440660 0.90 APP (0.59) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL27440509 0.89 SNCA (0.72) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL27440633 0.87 APP (0.54) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL24163776 0.84 APP (0.60) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL27440741 0.81 APP (0.52) APPSNCAENPP2ALDH1A1MAPT
SCHEMBL27440682 0.81 SNCA (0.56) APPSNCAENPP2ALDH1A1MAPT
SCHEMBL27440336 0.81 SNCA (0.63) APPSNCAENPP2ALDH1A1MEN1
SCHEMBL24164332 0.81 APP (0.60) APPSNCAENPP2ALDH1A1MAPT
SCHEMBL27440181 0.81 SNCA (0.76) APPSNCAENPP2ALDH1A1MEN1

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
WO-2024145369-A1 COMPOUNDS FOR TREATMENT OF HAIR LOSS PELAGE PHARMACEUTICALS, INC. (US) 2024-07-04 — — WO disclosed
Send feedback