SCHEMBL22453056

SCHEMBL22453056

COc1ccc(Nc2ccc(N(C)c3ccc(C45CC6CC7CC(C4)C75C6)cc3)cc2F)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FABP3 P05413 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AKR1C3 P42330 4/20 0.33
▸ AKR1C2 P52895 4/20 0.33
▸ KDM6B O15054 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
SCHEMBL22452465 0.91 KDM4C (0.39) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22453096 0.85 KMT2A (0.39) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22452472 0.79 DHODH (0.45) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22452596 0.78 MTNR1A (0.38) KMT2ALMNAMEN1
SCHEMBL22452451 0.75 AKR1C3 (0.48) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22453050 0.75 MEN1 (0.46) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22452445 0.75 MEN1 (0.46) KMT2ALMNAMEN1POLBMAPT
SCHEMBL22453045 0.75 SLC6A3 (0.40) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22452446 0.73 KDM4C (0.46) KDM4CKMT2ALMNAMEN1POLB
SCHEMBL22453197 0.73 — —

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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