SCHEMBL21085596

SCHEMBL21085596

c1ccc(-c2cc3oc4ccccc4c3c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CA12 O43570 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CYP1B1 Q16678 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ AR P10275 2/20 0.46
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ GABRA1 P14867 1/20 0.46

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
SCHEMBL17944031 0.91 CA1 (0.41) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL15223434 0.90 AKR1B1 (0.44) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL17931910 0.86 CDC14B (0.41) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL25869748 0.86 PLA2G2A (0.38) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL25869188 0.86 PLA2G2A (0.38) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL17382484 0.85 TNKS (0.51) HPGDSMN1; SMN2RAB9ACYP3A4NPC1
SCHEMBL17944866 0.85 CA1 (0.42) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL19076322 0.85 WEE1 (0.42) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL17931947 0.85 CA1 (0.40) HPGDSMN1; SMN2RAB9ACYP3A4CA12
SCHEMBL22879911 0.84 MAPT (0.38) HPGDSMN1; SMN2RAB9ACYP3A4CA12

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
EP-3492528-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-06-05 — — EP disclosed
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