SCHEMBL22453398

SCHEMBL22453398

COC(=O)c1cc(OC)ccc1Nc1ccc(Oc2ccc(C34CC5CC(C)(CC(C)(C5)C3)C4)cc2Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ P2RX7 Q99572 3/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ TOP1 P11387 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL22452447 0.94 KMT2A (0.41) KMT2ALMNAP2RX7SCN9ATOP1
SCHEMBL22453441 0.91 TDP1 (0.37) KMT2ATDP1LMNAP2RX7TOP1
SCHEMBL22453332 0.85 LMNA (0.41) KMT2ALMNAP2RX7TOP1KDM4E
SCHEMBL22452454 0.83 LMNA (0.40) KMT2ALMNAP2RX7SCN9ATOP1
SCHEMBL22453440 0.83 TOP1 (0.39) KMT2ATDP1LMNATOP1KDM4E
SCHEMBL22453360 0.78 HTR2A (0.33) KMT2ASCN9AMEN1EPHX2
SCHEMBL22452986 0.77 AKR1C3 (0.40) KMT2ATDP1LMNATOP1KDM4E
SCHEMBL22453760 0.75 RAB9A (0.40) KMT2ATOP1GAAMAPTMEN1
SCHEMBL22453074 0.74 PARP1 (0.41) KMT2ATDP1LMNAMAPTMEN1
SCHEMBL22453159 0.72 PDE7A (0.43) KMT2ALMNAKDM4EMAPTMEN1

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