SCHEMBL9388172

SCHEMBL9388172

COc1ccc2oc(-c3ccccc3)c(OCCCN3CCN(C(=O)[C@@H]4CSC(c5cccnc5)N4)CC3)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.50
▸ TBXAS1 P24557 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL9387198 0.93 PTAFR (0.56) PTAFRSIGMAR1TBXAS1KDM4EALDH1A1
SCHEMBL9387250 0.91 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1HRH3
SCHEMBL9387180 0.91 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1HRH3
SCHEMBL9390517 0.91 PTAFR (0.62) PTAFRTBXAS1KDM4EALDH1A1HRH3
SCHEMBL9391107 0.91 PTAFR (0.57) PTAFRSIGMAR1TBXAS1KDM4EALDH1A1
SCHEMBL9387199 0.88 PTAFR (0.54) PTAFRSIGMAR1TBXAS1HSD17B10
SCHEMBL9386962 0.87 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1TSHR
SCHEMBL9386178 0.86 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9391094 0.86 PTAFR (0.57) PTAFRTBXAS1KDM4EALDH1A1
SCHEMBL9388143 0.81 PTAFR (0.59) PTAFRSIGMAR1TBXAS1

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
WO-1994001434-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AS PAF ANTAGONISTS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1994-01-20 — — WO disclosed
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