SCHEMBL22453680

SCHEMBL22453680

COC(=O)c1ccccc1NC(=O)c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.53
▸ HPGD P15428 3/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ TSHR P16473 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ELANE P08246 1/20 0.45
▸ PRTN3 P24158 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL22452790 0.96 SERPINE1 (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453525 0.92 MAPT (0.50) SERPINE1TSHRMAPTMEN1KMT2A
SCHEMBL22452715 0.90 SERPINE1 (0.64) SERPINE1HPGDKDM4EMAPTMEN1
SCHEMBL22453751 0.89 HPGD (0.55) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453220 0.87 SERPINE1 (0.46) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22452789 0.86 SERPINE1 (0.61) SERPINE1HPGDKDM4EMAPTMEN1
SCHEMBL22453221 0.86 HIF1A (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22452577 0.86 HIF1A (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453766 0.85 HPGD (0.56) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453775 0.84 LMNA (0.49) HPGDTSHRCYP2D6CYP2C19ELANE

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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