SCHEMBL22452517

SCHEMBL22452517

Clc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Nc1ccc(Cn2ccnc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 12/20 0.43
▸ CYP11B2 P19099 11/20 0.43
▸ CYP19A1 P11511 6/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ QPCT Q16769 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.39
▸ QPCTL Q9NXS2 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL22453101 0.82 CYP19A1 (0.38) CYP19A1CYP1A2MAPT
SCHEMBL22452681 0.77 ALDH1A1 (0.57) POLBMAPT
SCHEMBL31168054 0.77 ALDH1A1 (0.57) POLBMAPT
SCHEMBL22453417 0.77 CYP11B1 (0.48) CYP11B1CYP11B2MAPT
SCHEMBL22452964 0.76 NPC1 (0.43) POLBMAPTEGFR
SCHEMBL22452687 0.75 EPHX2 (0.53) —
SCHEMBL22452785 0.75 MAPT (0.48) POLBMAPT
SCHEMBL22453118 0.74 CA12 (0.42) POLBMAPT
SCHEMBL22453106 0.74 EPHX2 (0.39) POLB
SCHEMBL28677742 0.73 NPC1 (0.40) POLBMAPT

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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