SCHEMBL8021187

SCHEMBL8021187

CCOC(=O)c1sc2cc(OCc3ccccc3)ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
EDNRA P25101 1/20 0.48
PPARG P37231 2/20 0.47
MAOB P27338 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47

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 0.88 HPGD (0.53) DYRK1AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9374477 0.85 DYRK1A (0.56) DYRK1AMAPTSMN1; SMN2EDNRAPPARG
SCHEMBL8023446 0.83 NMT1 (0.48) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL23474866 0.83 DYRK1A (0.54) DYRK1AMAPTSMN1; SMN2EDNRAPPARG
SCHEMBL8021827 0.81 KMT2A (0.45) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL15465845 0.81 EDNRA (0.59) DYRK1AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8024886 0.80 MMP13 (0.48) DYRK1AMAPTKMT2AGABRA1GABRG2
SCHEMBL20747928 0.80 DYRK1A (0.49) DYRK1AMAPTSMN1; SMN2EDNRAPPARG
SCHEMBL8010924 0.78 MCL1 (0.52) MAPTSMN1; SMN2MEN1KMT2APPARG
SCHEMBL8010663 0.78 BCL2L1 (0.67) MAPTSMN1; SMN2PPARGALDH1A1KDM4E

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