SCHEMBL7349410

SCHEMBL7349410

CC(C)(O)CSc1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.63
EPHX2 P34913 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 4/20 0.59
TXN P10599 2/20 0.58
NPC1 O15118 3/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 2/20 0.56
AR P10275 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL7287893 0.84 BCHE (0.63) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL10843275 0.81 BCHE (0.67) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL8425964 0.79 SMN1; SMN2 (0.79) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL7998438 0.78 BCHE (0.73) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL31175737 0.78 BCHE (0.73) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL7298254 0.78 EPHX2 (0.75) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL11475158 0.78 BCHE (1.00) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL16256659 0.78 KMT2A (0.69) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL1130695 0.78 RAB9A (0.69) BCHEEPHX2SMN1; SMN2HPGDRAB9A
SCHEMBL1131187 0.78 RAB9A (0.69) BCHEEPHX2SMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed