SCHEMBL9514839

SCHEMBL9514839

Cc1ccc(S(=O)(=O)N2CCN(c3ccnc(C)n3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.65
LSS P48449 1/20 0.60
HSD11B1 P28845 6/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.54
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9517357 0.86 LSS (0.55) GBA1LSSHSD11B1MEN1KMT2A
SCHEMBL6975619 0.82 LSS (0.62) GBA1LSSHSD11B1PKMALDH1A1
SCHEMBL6977387 0.82 LSS (0.76) GBA1LSSMEN1KMT2AGAA
SCHEMBL9513912 0.81 LMNA (0.53) GBA1LSSALDH1A1KDM4EMAPT
SCHEMBL8466387 0.81 LSS (0.48) GBA1LSSALDH1A1KDM4EMAPT
SCHEMBL5862112 0.80 KDM4E (0.76) HSD11B1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6978604 0.79 LSS (0.71) GBA1LSSMEN1KMT2AGAA
SCHEMBL7588700 0.78 SORD (0.68) GBA1LSSMEN1KMT2AGAA
SCHEMBL8467030 0.78 LSS (0.46) GBA1LSSMEN1KMT2AALDH1A1
SCHEMBL7654703 0.78 HTR7 (0.56) GBA1LSSHSD11B1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384370-B1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AG (DE) 1993-11-03 EP disclosed
US-5138058-A Diabetic screening HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0384370-A1 Substituted pyrimidine derivatives, process for their preparation, and their use as tool HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed