SCHEMBL7754596

SCHEMBL7754596

Cc1cccc(S(=O)(=O)Nc2cccc(C3(C)CCNCC3C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
TP53 P04637 3/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPK1 P28482 1/20 0.39
OPRM1 P35372 1/20 0.39
EDNRA P25101 1/20 0.38
KIT P10721 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
SCHEMBL7756380 0.85 KMT2A (0.47) KMT2ALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7756374 0.85 KMT2A (0.47) KMT2ALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL6659963 0.83 OPRM1 (0.43) ALDH1A1SMN1; SMN2OPRM1
SCHEMBL6659961 0.83 OPRM1 (0.43) ALDH1A1SMN1; SMN2OPRM1
SCHEMBL6653711 0.81 OPRM1 (0.47) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL6653714 0.81 OPRM1 (0.47) PKMMEN1KMT2AALDH1A1MAPT
SCHEMBL6656375 0.79 OPRM1 (0.44) MEN1KMT2ASMN1; SMN2TP53OPRM1
SCHEMBL7757867 0.79 OPRM1 (0.44) MEN1KMT2ASMN1; SMN2TP53OPRM1
SCHEMBL7756051 0.79 OPRM1 (0.44) MEN1KMT2ASMN1; SMN2TP53OPRM1
SCHEMBL6656153 0.77 TSHR (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2

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
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO disclosed