SCHEMBL7440654

SCHEMBL7440654

O=c1sc2ccccc2n1CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.73
KDM4E B2RXH2 1/20 0.73
PKM P14618 1/20 0.73
HTT P42858 2/20 0.67
TSHR P16473 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 1/20 0.63
HTR1A P08908 1/20 0.62
HTR7 P34969 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL11349942 0.82 L3MBTL1 (0.66) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL2149244 0.81 L3MBTL1 (0.65) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL4614755 0.81 L3MBTL1 (0.69) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL4616542 0.81 L3MBTL1 (0.64) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL4615852 0.81 L3MBTL1 (0.64) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL7022286 0.80 L3MBTL1 (0.71) L3MBTL1KDM4EPKMHTTNPC1
SCHEMBL7822750 0.80 HTT (1.00) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL11350777 0.78 L3MBTL1 (0.66) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL318427 0.78 L3MBTL1 (0.68) L3MBTL1KDM4EPKMTSHRNPC1
SCHEMBL318582 0.78 L3MBTL1 (0.64) L3MBTL1HTTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed