SCHEMBL8024350

SCHEMBL8024350

COC(=O)c1sc2cc(OCc3cccnc3)ccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
F9 P00740 1/20 0.50
F10 P00742 1/20 0.50
LMNA P02545 5/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
DYRK1A Q13627 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 2/20 0.46
PRNP P04156 1/20 0.46

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
SCHEMBL8021621 0.93 HPGD (0.48) HPGDNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8010798 0.90 HPGD (0.53) HPGDNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL10953368 0.89 F9 (0.51) HPGDNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8024886 0.83 MMP13 (0.48) HPGDNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL15465845 0.79 EDNRA (0.59) HPGDNPSR1LMNAGAAKDM4E
SCHEMBL8021176 0.78 KDM4E (0.48) HPGDNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8412494 0.77 NPSR1 (0.74) HPGDNPSR1LMNAGAAKDM4E
SCHEMBL8021187 0.77 DYRK1A (0.53) HPGDNPSR1LMNAGAAKDM4E
SCHEMBL10950755 0.76 CLK1 (0.60) F9F10LMNADYRK1AGPR132
SCHEMBL15211326 0.76 SMN1; SMN2 (0.54) HPGDNPSR1LMNAGAAKDM4E

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