SCHEMBL10453889

SCHEMBL10453889

CCOc1ccc2oc3cc(-c4nnn[nH]4)ccc3c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAOA P21397 3/20 0.40
▸ ALDH2 P05091 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL10453670 0.99 MAPT (0.43) MAPTTP53RXFP1ALDH1A1KDM4E
SCHEMBL10453668 0.99 MAPT (0.43) MAPTTP53RXFP1ALDH1A1KDM4E
SCHEMBL10454166 0.92 XDH (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL10454198 0.92 XDH (0.45) ALDH2MAOBXDHACSL1ACSL6
SCHEMBL10453751 0.91 XDH (0.42) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL10453752 0.91 XDH (0.42) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL10453571 0.88 ACSL1 (0.44) MAOAALDH2MAOBXDHACSL1
SCHEMBL10452882 0.88 KDM4E (0.57) MAPTTP53RXFP1ALDH1A1KDM4E
SCHEMBL10454123 0.88 ACSL1 (0.43) MAOAALDH2MAOBXDHACSL1
SCHEMBL10454121 0.88 ACSL1 (0.43) MAOAALDH2MAOBXDHACSL1

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 10 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 claimed
EP-0142080-B1 STORAGE SYSTEMS THE WELLCOME FOUNDATION LIMITED (GB) 1989-01-25 — — EP claimed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP claimed
EP-0142080-A2 Storage systems THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 — — EP claimed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP claimed
US-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0142080-B1 STORAGE SYSTEMS THE WELLCOME FOUNDATION LIMITED (GB) 1989-01-25 — — EP disclosed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP disclosed
EP-0142080-A2 Storage systems THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 — — 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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