SCHEMBL9536864

SCHEMBL9536864

Cc1ccc(S(=O)(=O)N2CCC(Sc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
HTR2B P41595 2/20 0.53
GAA P10253 3/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
HSD11B1 P28845 1/20 0.48
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.44

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
SCHEMBL10797955 0.76 GAA (0.56) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL10798877 0.74 ALDH1A1 (0.57) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL10799158 0.74 GAA (0.56) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL10797795 0.73 PKM (0.53) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL10742499 0.72 SMN1; SMN2 (0.52) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL10797264 0.72 ALDH1A1 (0.55) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL20456469 0.71 HTR2B (0.86) KMT2AHTR2BALDH1A1MEN1LMNA
SCHEMBL21047851 0.71 DDB1 (0.60) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4770806 0.70 ALDH1A1 (0.53) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL2775647 0.70 RAB9A (0.52) ALDH1A1SMN1; SMN2MAPK1

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed