SCHEMBL9686623

SCHEMBL9686623

Cc1ccc(S(=O)(=O)/N=C2\CCCc3nc(N4CCN(Cc5ccccc5)CC4)ncc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.61
HTT P42858 6/20 0.61
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.43
CD4 P01730 2/20 0.39
SORT1 Q99523 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL9686625 1.00 LMNA (0.61) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9686181 0.80 HTT (0.71) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9686179 0.80 HTT (0.71) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9685255 0.77 HTT (1.00) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9838479 0.74 LMNA (0.50) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL8897525 0.72 LMNA (0.71) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9684514 0.71 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL25678316 0.70 LMNA (0.67) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9684395 0.68 HTT (0.68) LMNAHTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL9685234 0.68 HTT (0.62) LMNAHTTALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
EP-0192783-B1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-17 EP disclosed
US-4742165-A HERBICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-05-03 US disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed
EP-0192783-A1 2-PIPERAZINOPYRIMIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-09-03 EP disclosed
EP-0188094-A2 Quinazoline derivatives and antihypertensive preparations containing same as effective components MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1986-07-23 EP disclosed