SCHEMBL8010359

SCHEMBL8010359

CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1[S+]([O-])c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
NMT1 P30419 4/20 0.41
NMT2 O60551 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL8021827 0.91 KMT2A (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8023432 0.86 F9 (0.39) MMP13F9F10GABRA1GABRG2
SCHEMBL8027223 0.84 EDNRA (0.44) F9F10MEN1KMT2AGPR132
SCHEMBL8021861 0.84 SLC2A1 (0.42) MMP13ALDH1A1MAPTKDM4ELMNA
SCHEMBL8020716 0.83 MAPT (0.37) MMP13ALDH1A1MAPTKDM4ELMNA
SCHEMBL8024530 0.82 F9 (0.48) MMP13F9F10GABRA1GABRG2
SCHEMBL8010798 0.82 HPGD (0.53) MMP13F9F10ALDH1A1MAPT
SCHEMBL8024562 0.81 MMP13 (0.46) MMP13F9F10GABRA1GABRG2
SCHEMBL8022652 0.80 MMP13 (0.46) MMP13F9F10GABRA1GABRG2
SCHEMBL8021028 0.80 F9 (0.43) F9F10ALDH1A1KDM4EHPGD

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