SCHEMBL11749704

SCHEMBL11749704

CCCCCCC(=O)n1ncnc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.42
▸ MEN1 O00255 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GNAI3 P08754 2/20 0.38
▸ GNAI1 P63096 2/20 0.38
▸ XDH P47989 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ SOAT1 P35610 2/20 0.36
▸ NAAA Q02083 2/20 0.36
▸ FAAH O00519 2/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NR1I2 O75469 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
SCHEMBL11753455 0.88 KMT2A (0.38) KMT2ACYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL11559361 0.74 TLR8 (0.37) —
SCHEMBL11746748 0.71 SQOR (0.41) SQORMEN1CYP3A4KMT2ACYP1A2
SCHEMBL11747740 0.68 ALDH1A1 (0.40) SQORMEN1CYP3A4KMT2ACYP1A2
SCHEMBL28257531 0.64 SOAT1 (0.59) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL10486648 0.62 SOAT1 (0.74) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL943102 0.62 SOAT1 (0.74) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL217645 0.62 SOAT1 (0.74) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL1024576 0.62 SOAT1 (0.74) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL22319678 0.62 SOAT1 (0.74) MEN1CYP3A4KMT2ACYP1A2CYP2C19

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
US-4006159-A ACYL, VIRICIDES AMERICAN CYANAMID COMPANY (US) 1977-02-01 — — US disclosed
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