SCHEMBL8024355

SCHEMBL8024355

CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1Sc1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
MMP13 P45452 5/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
NMT1 P30419 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
NMT2 O60551 1/20 0.41
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8027254 0.91 MMP13 (0.44) F9F10MMP13POLBKDM4E
SCHEMBL8024562 0.88 MMP13 (0.46) F9F10MMP13POLBKDM4E
SCHEMBL8021222 0.86 MMP13 (0.42) F9F10MMP13POLBKDM4E
SCHEMBL8010798 0.81 HPGD (0.53) F9F10MMP13POLBKDM4E
SCHEMBL8024530 0.79 F9 (0.48) F9F10MMP13POLBKDM4E
SCHEMBL8023446 0.79 NMT1 (0.48) MAPTMEN1KMT2ANMT1ALDH1A1
SCHEMBL8022652 0.77 MMP13 (0.46) F9F10MMP13MAPTMEN1
SCHEMBL8023719 0.77 F9 (0.48) F9F10MMP13MEN1KMT2A
SCHEMBL8010359 0.77 MMP13 (0.43) F9F10MMP13POLBKDM4E
SCHEMBL8024886 0.76 MMP13 (0.48) F9F10MMP13POLBKDM4E

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 2 patents. 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
EP-0921124-A1 Benzothiophene derivatives useful in therapy Pfizer Limited (GB) 1999-06-09 EP disclosed