SCHEMBL8021176

SCHEMBL8021176

COC(=O)c1sc2c(OCc3cccnc3)cccc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42

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
SCHEMBL15471999 0.87 MAPT (0.46) KDM4EHPGDLMNAMAPTL3MBTL1
SCHEMBL8021621 0.79 HPGD (0.48) KDM4EHPGDLMNAMAPTL3MBTL1
SCHEMBL8024350 0.78 HPGD (0.55) KDM4EHPGDLMNAMAPTL3MBTL1
SCHEMBL9920686 0.77 MAPT (0.44) KDM4EHPGDLMNAMAPTL3MBTL1
SCHEMBL23039633 0.71 HSD17B10 (0.51) KDM4EHPGDLMNAMAPTL3MBTL1
SCHEMBL15088051 0.71 ALDH1A1 (0.53) KDM4EHPGDLMNAKMT2AGAA
SCHEMBL10954630 0.71 CHRNB2 (0.50) LMNAMAPTKMT2APOLBHTR1A
SCHEMBL8123274 0.69 MAPK1 (0.47) KDM4EHPGDMAPTKMT2APOLB
SCHEMBL8024886 0.69 MMP13 (0.48) KDM4EHPGDLMNAMAPTKMT2A
SCHEMBL21874451 0.69 COMT (0.45) KDM4EHPGDLMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040309-A ACTIVE MATERIAL TREATING OF RESTENOSIS, RENAL FAILURE, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MALE ERECTILE DYSFUNCTION, CONGESTIVE HEART FAILURE, STROKE, ANGINA, ATHEROSCLEROSIS, CEREBRAL AND CARDIAC ISCHAEMIA PFIZER, INC. (US) 2000-03-21 US disclosed