SCHEMBL12973259

SCHEMBL12973259

COc1ccc(-c2ccc(-c3ccc(N)cc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 10/20 1.00
▸ TDP1 Q9NUW8 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ ALDH1A1 P00352 4/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP1A1 P04798 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2E1 P05181 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP4B1 P13584 1/20 0.53
▸ CYP2B6 P20813 1/20 0.53
▸ CYP3A5 P20815 1/20 0.53
▸ CYP2A7 P20853 1/20 0.53
▸ CYP3A7 P24462 1/20 0.53
▸ CYP2F1 P24903 1/20 0.53
▸ CYP2C18 P33260 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL1181273 0.89 APP (1.00) APPMAPK1ALDH1A1CYP3A4CYP1A1
SCHEMBL13446070 0.87 APP (0.95) APPMAPK1ALDH1A1CYP3A4CYP1A1
SCHEMBL14705443 0.87 APP (0.95) APPMAPK1ALDH1A1CYP3A4CYP1A1
SCHEMBL14705615 0.85 APP (0.91) APPMAPK1ALDH1A1CYP3A4CYP1A1
SCHEMBL9428523 0.84 APP (0.73) APPTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL21427066 0.83 APP (0.74) APPTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL21427063 0.83 APP (0.74) APPTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL1926936 0.83 TDP1 (0.84) APPTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL6751854 0.82 APP (1.00) APPTDP1ALDH1A1CYP3A4MAPT
SCHEMBL12973226 0.82 APP (0.83) APPALDH1A1CYP3A4CYP1A1CYP1A2

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-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
US-7858072-B2 Stilbene derivatives and their use for binding and imaging amyloid plaques THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-12-28 — — US disclosed
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