SCHEMBL19239018

SCHEMBL19239018

Cc1ccc(S(=O)(=O)N2CCN(C(=O)COCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 7/20 0.59
GAA P10253 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MDM2 Q00987 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL752502 0.89 GAA (0.72) PKMLMNAALDH1A1GAAHTT
SCHEMBL752501 0.84 LMNA (0.88) PKMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL752687 0.80 NPC1 (0.67) PKMALDH1A1GAANPC1RAB9A
SCHEMBL5735336 0.77 GRM5 (0.64) PKMLMNARAB9AKMT2A
SCHEMBL20323444 0.77 YAP1 (0.84) PKMALDH1A1GAAHTTPOLB
SCHEMBL7894190 0.76 PKM (0.76) PKMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL752503 0.76 PKM (0.69) PKMLMNAALDH1A1GAASMN1; SMN2
SCHEMBL5063837 0.76 GRM5 (0.64) LMNAALDH1A1SMN1; SMN2POLB
SCHEMBL28700737 0.75 LMNA (0.69) PKMLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL7890108 0.75 LMNA (0.79) PKMLMNAALDH1A1GAASMN1; 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
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed