SCHEMBL7407359

SCHEMBL7407359

CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 5/20 0.50
NOD2 Q9HC29 2/20 0.50
PAX8 Q06710 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.45
GLA P06280 3/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL11159543 0.92 RAB9A (0.56) RAB9AMAPTNOD2PAX8L3MBTL1
Fostedil SCHEMBL612913 0.91 KDM4E (0.53) RAB9AMAPTNOD2PAX8L3MBTL1
Fostedil SCHEMBL29387277 0.91 KDM4E (0.53) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL11404850 0.89 F2RL3 (0.43) RAB9AMAPTNOD2PAX8L3MBTL1
Fostedil SCHEMBL11166196 0.83 RAB9A (0.46) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL10707569 0.82 RAB9A (0.54) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL11160844 0.81 RAB9A (0.51) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL11153617 0.81 RAB9A (0.59) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL11441345 0.81 RAB9A (0.45) RAB9AMAPTNOD2PAX8L3MBTL1
SCHEMBL11155474 0.80 ATP4A (0.57) RAB9AMAPTNOD2PAX8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434162-A VASODILATOR, ANGINA PECTORIS, HYPOTENSIVE AGENTS KANEBO, LTD. (JP) 1984-02-28 US claimed
EP-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-4434162-A VASODILATOR, ANGINA PECTORIS, HYPOTENSIVE AGENTS KANEBO, LTD. (JP) 1984-02-28 US disclosed