SCHEMBL22453220

SCHEMBL22453220

COC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.46
▸ HPGD P15428 2/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ELANE P08246 1/20 0.42
▸ PRTN3 P24158 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL22453784 0.90 SERPINE1 (0.56) SERPINE1SIRT2MEN1KMT2AALDH1A1
SCHEMBL22452790 0.89 SERPINE1 (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453221 0.88 HIF1A (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22452577 0.88 HIF1A (0.51) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453680 0.87 SERPINE1 (0.53) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453751 0.86 HPGD (0.55) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22453292 0.86 SERPINE1 (0.58) SERPINE1SIRT2MEN1KMT2AALDH1A1
SCHEMBL22453766 0.83 HPGD (0.56) SERPINE1HPGDMAPK10TSHRCYP1A2
SCHEMBL22452503 0.82 MAPT (0.58) TSHRMAPTALOX15SIRT2KDM4E
SCHEMBL22453525 0.82 MAPT (0.50) SERPINE1TSHRMAPTALOX15SIRT2

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
Send feedback