SCHEMBL22453751

SCHEMBL22453751

COC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ TSHR P16473 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SERPINE1 P05121 1/20 0.53
▸ ELANE P08246 1/20 0.51
▸ PRTN3 P24158 1/20 0.51
▸ APOBEC3A P31941 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ HIF1A Q16665 3/20 0.49
▸ EPAS1 Q99814 2/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47

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
SCHEMBL22453766 0.95 HPGD (0.56) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22453221 0.93 HIF1A (0.51) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22452577 0.93 HIF1A (0.51) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22453226 0.91 HIF1A (0.53) HPGDMAPK10TSHRSERPINE1HIF1A
SCHEMBL22453681 0.89 ELANE (0.56) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22452503 0.89 MAPT (0.58) TSHRHIF1AEPAS1EPHX2NPC1
SCHEMBL22453680 0.89 SERPINE1 (0.53) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22452488 0.88 SERPINE1 (0.64) SERPINE1HIF1AEPAS1EPHX2NPC1
SCHEMBL22453220 0.86 SERPINE1 (0.46) HPGDMAPK10TSHRCYP1A2CYP2D6
SCHEMBL22452790 0.86 SERPINE1 (0.51) HPGDMAPK10TSHRCYP1A2CYP2D6

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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