SCHEMBL8024562

SCHEMBL8024562

CCOC(=O)c1sc2cc(OCc3cccnc3)ccc2c1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
NMT1 P30419 4/20 0.46
NMT2 O60551 1/20 0.45
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8023446 0.91 NMT1 (0.48) NMT1NMT2GABRA1GABRG2GABRB3
SCHEMBL8023719 0.89 F9 (0.48) MMP13F9F10MEN1KMT2A
SCHEMBL8027254 0.89 MMP13 (0.44) MMP13NMT1NMT2F9F10
SCHEMBL8024355 0.88 F9 (0.44) MMP13NMT1NMT2F9F10
SCHEMBL8021222 0.84 MMP13 (0.42) MMP13NMT1NMT2F9F10
SCHEMBL8024530 0.84 F9 (0.48) MMP13NMT1NMT2F9F10
SCHEMBL8010798 0.83 HPGD (0.53) MMP13F9F10MAPTALDH1A1
SCHEMBL8022652 0.82 MMP13 (0.46) MMP13NMT1NMT2F9F10
SCHEMBL8010359 0.81 MMP13 (0.43) MMP13NMT1NMT2F9F10
SCHEMBL8024886 0.79 MMP13 (0.48) MMP13NMT1NMT2F9F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11236384-A None JP disclosed
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
JP-H11236384-A BENZOPHENONE DERIVATIVE USEFUL FOR THERAPY PFIZER INC 1999-08-31 JP disclosed
EP-0921124-A1 Benzothiophene derivatives useful in therapy Pfizer Limited (GB) 1999-06-09 EP disclosed