SCHEMBL8817925

SCHEMBL8817925

CCOC(=O)CCCOc1ccccc1NC(=O)c1ccc(CNC(=O)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 4/20 0.45
▸ HPGD P15428 3/20 0.44
▸ GAA P10253 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MTTP P55157 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL8814617 0.92 CHRNB2 (0.47) LMNAGAAHTTHDAC1MAPT
SCHEMBL7743977 0.85 KMT2A (0.44) KMT2ALMNAHPGDHTTALDH1A1
SCHEMBL7751057 0.81 AVPR2 (0.51) KMT2ALMNAHDAC1MTTPPOLB
SCHEMBL10401177 0.79 GAA (0.54) KMT2ALMNAGAAHTTMAPT
SCHEMBL8614650 0.79 KMT2A (0.58) KMT2ALMNAHPGDHDAC1MAPT
SCHEMBL7515855 0.78 KMT2A (0.50) KMT2ALMNAHPGDHDAC1MAPT
SCHEMBL8816842 0.76 KMT2A (0.52) KMT2ALMNAHPGDHDAC1MAPT
SCHEMBL7372350 0.75 AVPR2 (0.43) KMT2ALMNAGAAMAPTATM
SCHEMBL8074321 0.74 ALDH1A1 (0.54) LMNAHPGDHTTMAPTTSHR
SCHEMBL8816782 0.74 CHRNB2 (0.54) KMT2ALMNAHPGDHTTHDAC1

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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
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