SCHEMBL8812976

SCHEMBL8812976

Cc1ccc(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)c(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.47
HDAC7 Q8WUI4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
DHODH Q02127 2/20 0.44
GPR27 Q9NS67 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
USP28 Q96RU2 1/20 0.42
TP53 P04637 2/20 0.41
AVPR2 P30518 1/20 0.41
AVPR1A P37288 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7370810 0.90 L3MBTL1 (0.52) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL8814928 0.86 NPC1 (0.46) MEN1KMT2AL3MBTL1HDAC7LMNA
SCHEMBL8816546 0.80 CYP19A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL8812526 0.78 GCGR (0.40) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL8813868 0.77 MEN1 (0.37) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL8814391 0.76 POLB (0.46) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL7377166 0.75 AVPR2 (0.48) MEN1KMT2AL3MBTL1LMNAGPR27
SCHEMBL7371083 0.73 HTT (0.56) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL1458777 0.72 CHRNB2 (0.63) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL2960788 0.71 CHRNB2 (0.61) L3MBTL1POLBALDH1A1LMNATP53

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