SCHEMBL8828626

SCHEMBL8828626

O=C(c1cccnc1Cl)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 1/20 0.59
CYP2C19 P33261 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
EGFR P00533 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 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
SCHEMBL8183855 0.92 SMN1; SMN2 (0.54) SMN1; SMN2LMNACYP2C19CASP3SENP8
SCHEMBL2541869 0.88 CYP2C19 (0.52) SMN1; SMN2LMNACYP2C19CASP3SENP8
SCHEMBL2541871 0.88 CYP2C19 (0.52) SMN1; SMN2LMNACYP2C19CASP3SENP8
SCHEMBL31187270 0.79 LMNA (0.51) SMN1; SMN2LMNAPOLBALDH1A1NPC1
SCHEMBL15204577 0.79 SLC18A3 (0.60) SMN1; SMN2LMNAALDH1A1L3MBTL1TDP1
SCHEMBL27089336 0.79 GPR6 (0.43) SMN1; SMN2LMNAALDH1A1L3MBTL1TDP1
SCHEMBL27089392 0.79 NAPRT (0.59) ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL950218 0.77 LMNA (0.73) SMN1; SMN2LMNACYP2C19CASP3SENP8
SCHEMBL105459 0.75 SMN1; SMN2 (0.70) SMN1; SMN2LMNACYP2C19CASP3SENP8
SCHEMBL17180592 0.75 LMNA (0.70) SMN1; SMN2LMNACYP2C19CASP3SENP8

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed