SCHEMBL11628215

SCHEMBL11628215

CC(=O)Nc1cc2c3ccccc3[nH]c(=O)n2n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.64
▸ MAOA P21397 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HAVCR2 Q8TDQ0 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11255156 0.80 ADORA3 (0.76) ADORA3
Acetone SCHEMBL11543246 0.79 ADORA3 (0.74) ADORA3
SCHEMBL9036763 0.76 ADORA3 (0.67) ADORA3HAVCR2HSD17B10
Acetaldehyde SCHEMBL11543250 0.76 ADORA3 (0.70) ADORA3
SCHEMBL11258739 0.76 ADORA3 (0.74) ADORA3
SCHEMBL11250103 0.75 ADORA3 (0.58) ADORA3KDM4EALDH1A1HSD17B10
SCHEMBL11250907 0.75 ADORA3 (0.72) ADORA3
SCHEMBL11258237 0.75 ADORA3 (0.72) ADORA3
SCHEMBL11631304 0.74 ADORA3 (0.67) ADORA3HAVCR2HSD17B10
SCHEMBL11631308 0.74 ADORA3 (0.67) ADORA3HAVCR2HSD17B10

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
US-4112098-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-09-05 — — US claimed
US-4112098-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-09-05 — — US disclosed
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