SCHEMBL7345983

SCHEMBL7345983

COc1cc(C(=O)N(C)c2ccccc2C)ccc1NC(=O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
RAB9A P51151 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KCNMA1 Q12791 3/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
KLK1 P06870 1/20 0.45
KLK5 Q9Y337 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45

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
SCHEMBL7336189 0.87 ALDH1A1 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7378000 0.85 ALDH1A1 (0.51) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7748399 0.83 ALDH1A1 (0.51) MAPTRAB9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7336895 0.82 ALDH1A1 (0.45) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7341146 0.81 BRD4 (0.49) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7343390 0.80 KMT2A (0.72) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7335216 0.79 MEN1 (0.46) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7372454 0.79 KCNMA1 (0.48) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7512858 0.79 ALDH1A1 (0.50) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL7342516 0.78 ALDH1A1 (0.41) MAPTRAB9AMEN1KMT2ANPC1

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 4 patents. 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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed