SCHEMBL27440596

SCHEMBL27440596

COc1cc(Cn2cc(/C=C(\C#N)C(C)=O)c3cccnc32)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ APP P05067 4/20 0.48
▸ SNCA P37840 4/20 0.48
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SLC16A1 P53985 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ABCB1 P08183 3/20 0.38
▸ ABCC1 P33527 2/20 0.38
▸ ELANE P08246 1/20 0.35

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
SCHEMBL31050170 0.93 APP (0.50) ENPP2APPSNCAMAPTSMN1; SMN2
SCHEMBL27440290 0.93 APP (0.50) ENPP2APPSNCAMAPTSMN1; SMN2
SCHEMBL30426119 0.86 APP (0.55) ENPP2APPSNCASLC16A1ALDH1A1
SCHEMBL20603144 0.84 APP (0.57) ENPP2APPSNCAMAPTSLC16A1
SCHEMBL28377102 0.84 APP (0.57) ENPP2APPSNCAMAPTSLC16A1
SCHEMBL30426945 0.84 APP (0.53) ENPP2APPSNCAMAPTSLC16A1
SCHEMBL25773497 0.84 SNCA (0.53) ENPP2APPSNCAMAPTSLC16A1
SCHEMBL30427033 0.84 APP (0.48) ENPP2APPSNCAMAPTSLC16A1
SCHEMBL20615236 0.83 APP (0.49) ENPP2APPSNCAMAPTSMN1; SMN2
SCHEMBL29919467 0.83 APP (0.49) ENPP2APPSNCASLC16A1ALDH1A1

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
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