SCHEMBL7515855

SCHEMBL7515855

COC(=O)c1ccc(COc2ccccc2NC(=O)c2ccc(CNC(=O)c3ccccc3-c3ccc(C)cc3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ HDAC1 Q13547 5/20 0.46
▸ KDM1A O60341 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ EGFR P00533 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MTTP P55157 1/20 0.42
▸ NPSR1 Q6W5P4 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
SCHEMBL8817468 0.81 KMT2A (0.52) KMT2AHDAC1KDM1AEGFRLMNA
SCHEMBL8614650 0.79 KMT2A (0.58) KMT2AHDAC1TP53LMNAMAPT
SCHEMBL8817925 0.78 KMT2A (0.45) KMT2AHDAC1KDM1APOLBLMNA
SCHEMBL7743977 0.77 KMT2A (0.44) KMT2ALMNAKDM4EHPGDALDH1A1
SCHEMBL7515848 0.76 L3MBTL1 (0.42) KMT2APOLBTP53MAPTKDM4E
SCHEMBL7751057 0.75 AVPR2 (0.51) KMT2AHDAC1POLBLMNAMTTP
SCHEMBL8816842 0.74 KMT2A (0.52) KMT2AHDAC1KDM1ATP53LMNA
SCHEMBL4550597 0.74 KMT2A (0.50) KMT2ALMNAMAPTKDM4EHPGD
SCHEMBL8510267 0.74 RECQL (0.40) KMT2APOLBTP53MAPTNPSR1
SCHEMBL8814617 0.73 CHRNB2 (0.47) HDAC1POLBLMNAMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 — — EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 — — WO disclosed
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