SCHEMBL8022652

SCHEMBL8022652

CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.46
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
NMT1 P30419 4/20 0.43
NAMPT P43490 1/20 0.43
NMT2 O60551 1/20 0.43
GRM2 Q14416 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL8024530 0.83 F9 (0.48) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8010798 0.83 HPGD (0.53) MMP13F9F10MEN1KMT2A
SCHEMBL8024562 0.82 MMP13 (0.46) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8010359 0.80 MMP13 (0.43) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8024886 0.78 MMP13 (0.48) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8027254 0.78 MMP13 (0.44) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8024355 0.77 F9 (0.44) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8021222 0.77 MMP13 (0.42) MMP13GABRA1GABRG2GABRB3GABRA5
SCHEMBL8021187 0.76 DYRK1A (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10953368 0.76 F9 (0.51) F9F10HPGDMAOADYRK1A

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