SCHEMBL10802425

SCHEMBL10802425

CC1(C)Nc2nc(N)[nH]c(=O)c2NC1COCCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.46
▸ NAAA Q02083 5/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ PNP P00491 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PAH P00439 1/20 0.31

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
Hydrochloric Acid SCHEMBL10618021 0.99 NOS1 (0.46) NOS1NAAANOS3NOS2PNP
Hydrochloric Acid SCHEMBL10615647 0.82 NOS1 (0.61) NOS1NOS3NOS2PNPUSP2
Hydrochloric Acid SCHEMBL10798798 0.77 NOS1 (0.41) NOS1NOS3NOS2PNPUSP2
Hydrochloric Acid SCHEMBL10615706 0.74 KDM4E (0.42) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL10798525 0.72 KDM4E (0.42) NOS1NOS3NOS2PNPUSP2
Hydrochloric Acid SCHEMBL10615690 0.72 KDM4E (0.43) NOS1NOS3NOS2USP2CASP7
SCHEMBL10618519 0.65 NOS1 (0.91) NOS1NOS3NOS2USP2CASP7
Hydrochloric Acid SCHEMBL10799983 0.62 KDM4E (0.51) NOS1NOS3NOS2USP2CASP7
SCHEMBL9267046 0.57 CYP1A2 (0.56) NAAA
SCHEMBL29101110 0.57 CYP1A2 (0.56) NAAA

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-4665182-A Biopterin analogs BURROUGHS WELLCOME CO. (US) 1987-05-12 — — US claimed
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