SCHEMBL7778674

SCHEMBL7778674

COc1c(C(=O)c2ccccc2OCCCN2C(=O)c3ccccc3C2=O)ccc(C(=O)N(C)c2ccccc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 5/20 0.39
MEN1 O00255 2/20 0.39
ACHE P22303 1/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7780715 0.92 ALDH1A1 (0.39) KMT2AALDH1A1LMNAMEN1ACHE
SCHEMBL7338326 0.90 KMT2A (0.42) KMT2AALDH1A1LMNAMEN1ACHE
SCHEMBL8637529 0.88 AVPR2 (0.40) KMT2AALDH1A1MEN1ACHEAVPR2
SCHEMBL7345842 0.86 ALDH1A1 (0.38) KMT2AALDH1A1LMNAMEN1ACHE
SCHEMBL7340123 0.86 KMT2A (0.36) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL7340129 0.86 KMT2A (0.36) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL7340721 0.83 AVPR2 (0.39) KMT2AALDH1A1LMNAMEN1ACHE
SCHEMBL7338937 0.80 KMT2A (0.44) KMT2AALDH1A1LMNAACHEMAPT
SCHEMBL7338316 0.80 KMT2A (0.41) KMT2AALDH1A1LMNAMEN1ACHE
SCHEMBL8008232 0.79 ALDH1A1 (0.47) KMT2AALDH1A1LMNAMEN1L3MBTL1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed