SCHEMBL9535858

SCHEMBL9535858

Cc1ccc(S(=O)(=O)N2CCC(Sc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD11B1 P28845 1/20 0.48
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.46
KMT2A Q03164 1/20 0.46
TBXA2R P21731 2/20 0.46
CYP2D6 P10635 5/20 0.45
HRH1 P35367 5/20 0.45
KCNH2 Q12809 4/20 0.45
CHRM1 P11229 3/20 0.45
DRD2 P14416 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
SCHEMBL9540017 0.83 PKM (0.54) PKMSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL9564855 0.83 USP2 (0.49) SMN1; SMN2LMNAALDH1A1USP2ALOX15
SCHEMBL8565877 0.82 HSD11B1 (0.46) PKMSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL9535390 0.81 PKM (0.50) PKMSMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL9537130 0.77 KCNH2 (0.63) SMN1; SMN2LMNAALDH1A1NPSR1TBXA2R
SCHEMBL9536849 0.76 HRH1 (0.62) SMN1; SMN2LMNAALDH1A1NPSR1USP2
SCHEMBL9535641 0.76 SSTR5 (0.52) SMN1; SMN2LMNAALDH1A1NPSR1USP2
SCHEMBL10795380 0.74 PKM (0.56) PKMSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL9537373 0.73 TP53 (0.52) SMN1; SMN2LMNAALDH1A1NPSR1GAA
SCHEMBL9536631 0.72 SSTR5 (0.48) SMN1; SMN2LMNAUSP2HTTGAA

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