SCHEMBL8817468

SCHEMBL8817468

COC(=O)c1ccc(COc2ccccc2NC(=O)c2ccc(CNC(=O)c3cc(C)ccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 5/20 0.48
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SGMS2 Q8NHU3 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HDAC3 O15379 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ KDM1A O60341 1/20 0.43

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
SCHEMBL7515855 0.81 KMT2A (0.50) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL8816306 0.77 MAPT (0.48) KMT2AKDM4EHDAC1HDAC6MAPT
SCHEMBL7366911 0.76 RAB9A (0.45) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL7743977 0.72 KMT2A (0.44) KMT2ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL8814617 0.72 CHRNB2 (0.47) SMN1; SMN2LMNAKDM4EHDAC1MAPT
SCHEMBL8817925 0.72 KMT2A (0.45) KMT2AMEN1LMNAKDM4EHDAC1
SCHEMBL8614650 0.72 KMT2A (0.58) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL6256451 0.71 CA1 (0.60) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL3960697 0.71 RAB9A (0.64) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL1123418 0.70 NR1H4 (0.65) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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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