SCHEMBL8024530

SCHEMBL8024530

CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48
MMP13 P45452 4/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
NMT1 P30419 3/20 0.43
GPR132 Q9UNW8 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
NMT2 O60551 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL8010798 0.85 HPGD (0.53) F9F10MMP13LMNAALDH1A1
SCHEMBL8024562 0.84 MMP13 (0.46) F9F10MMP13GABRA1GABRG2
SCHEMBL8022652 0.83 MMP13 (0.46) F9F10MMP13GABRA1GABRG2
SCHEMBL8010359 0.82 MMP13 (0.43) F9F10MMP13GABRA1GABRG2
SCHEMBL8024886 0.80 MMP13 (0.48) F9F10MMP13GABRA1GABRG2
SCHEMBL8027254 0.80 MMP13 (0.44) F9F10MMP13GABRA1GABRG2
SCHEMBL8024355 0.79 F9 (0.44) F9F10MMP13GABRA1GABRG2
SCHEMBL10953368 0.78 F9 (0.51) F9F10GPR132LMNA
SCHEMBL8021187 0.76 DYRK1A (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8023432 0.76 F9 (0.39) F9F10MMP13GABRA1GABRG2

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