SCHEMBL7350798

SCHEMBL7350798

CC(C[O])CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
IDO1 P14902 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HSD17B10 Q99714 2/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CRBN Q96SW2 1/20 0.40
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7350809 0.85 MAPT (0.43) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL9478863 0.85 MAPT (0.43) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL8746690 0.80 MAPT (0.44) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL14368887 0.77 ALDH1A1 (0.47) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL7354321 0.75 MAOA (0.43) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL7079082 0.75 MMP1 (0.47) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL2026375 0.74 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL3646086 0.74 MAPT (0.51) MAPTALDH1A1POLBIDO1MEN1
SCHEMBL96626 0.74 MAOA (0.59) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL13286840 0.74 ALDH1A1 (0.43) MAPTALDH1A1POLBIDO1MEN1

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