SCHEMBL10454174

SCHEMBL10454174

CSc1ccc2oc3cc(-c4nnn[nH]4)ccc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.37
▸ RAB9A P51151 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35
▸ NPC1 O15118 5/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ TTR P02766 1/20 0.32
▸ MAOA P21397 4/20 0.32
▸ GFER P55789 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL10454117 0.99 HCRTR1 (0.37) HCRTR1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10454116 0.99 HCRTR1 (0.37) HCRTR1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10453998 0.88 HCRTR1 (0.33) HCRTR1RAB9AMAPTKDM4EALDH1A1
SCHEMBL11614996 0.88 CASP3 (0.40) HCRTR1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10454088 0.84 HCRTR1 (0.32) HCRTR1RAB9ACASP3SENP7SENP6
SCHEMBL10454186 0.82 RAB9A (0.54) HCRTR1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10454114 0.82 MAOA (0.51) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL10452882 0.82 KDM4E (0.57) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL10453999 0.82 HTR1A (0.39) HCRTR1RAB9AALDH1A1GLANPC1
SCHEMBL10453856 0.82 HCRTR1 (0.51) HCRTR1RAB9AMAPTKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP disclosed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP disclosed
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