SCHEMBL11746748

SCHEMBL11746748

CCCCCCC(=O)n1cnnc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 3/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ GNAI3 P08754 2/20 0.38
▸ GNAI1 P63096 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ MAPK1 P28482 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
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CES2 O00748 3/20 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
SCHEMBL13092504 0.82 KMT2A (0.57) SQORKMT2AGNAI3GNAI1ALDH1A1
SCHEMBL11561983 0.74 TLR8 (0.46) KMT2AL3MBTL1MEN1CYP1A2CYP2C19
SCHEMBL11749704 0.71 SQOR (0.42) SQORKMT2AGNAI3GNAI1ALDH1A1
SCHEMBL11747740 0.68 ALDH1A1 (0.40) SQORKMT2AGNAI3GNAI1ALDH1A1
SCHEMBL13092480 0.67 TLR8 (0.49) SQORKMT2AGNAI3GNAI1ALDH1A1
SCHEMBL13092479 0.66 ALDH1A1 (0.46) SQORKMT2AALDH1A1MAPK1NAAA
SCHEMBL7798739 0.66 ALDH1A1 (0.46) SQORKMT2AALDH1A1MAPK1NAAA
SCHEMBL10486648 0.62 SOAT1 (0.74) KMT2AALDH1A1HSD17B10KDM4ESOAT1
SCHEMBL943102 0.62 SOAT1 (0.74) KMT2AALDH1A1HSD17B10KDM4ESOAT1
SCHEMBL1024576 0.62 SOAT1 (0.74) KMT2AALDH1A1HSD17B10KDM4ESOAT1

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
Send feedback