SCHEMBL8024886

SCHEMBL8024886

CCOC(=O)c1sc2ccc(OCc3cccnc3)cc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.47
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
EDNRA P25101 1/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
NMT1 P30419 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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 0.93 HPGD (0.53) MMP13MAPTLMNAALDH1A1KDM4E
SCHEMBL8021621 0.90 HPGD (0.48) MAPTLMNAKDM4EHPGDEDNRA
SCHEMBL8024350 0.83 HPGD (0.55) MAPTLMNAALDH1A1KDM4EPOLB
SCHEMBL8021187 0.80 DYRK1A (0.53) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL8024530 0.80 F9 (0.48) MMP13MAPTLMNAALDH1A1KDM4E
SCHEMBL8024562 0.79 MMP13 (0.46) MMP13MAPTLMNAALDH1A1KDM4E
SCHEMBL8022652 0.78 MMP13 (0.46) MMP13MAPTLMNAALDH1A1HPGD
SCHEMBL6196210 0.78 RXFP1 (0.53) MAPTLMNAALDH1A1KDM4EHPGD
SCHEMBL8010359 0.77 MMP13 (0.43) MMP13MAPTLMNAALDH1A1KDM4E
SCHEMBL8027254 0.77 MMP13 (0.44) MMP13MAPTLMNAALDH1A1KDM4E

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