SCHEMBL20141892

SCHEMBL20141892

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
PPARG P37231 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
SMO Q99835 1/20 0.43
TNF P01375 1/20 0.42
RAB9A P51151 1/20 0.42
NOD1 Q9Y239 1/20 0.42
DCTPP1 Q9H773 2/20 0.42
KDM4E B2RXH2 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL20139858 0.83 PKM (0.47) PKMPPARGPOLBSMN1; SMN2GAA
SCHEMBL20141007 0.82 PKM (0.48) PKMPPARGPOLBMEN1KMT2A
SCHEMBL20139969 0.80 MTOR (0.49) SMN1; SMN2GAATSHRTNFRAB9A
SCHEMBL11180220 0.71 PKM (0.61) PKMKMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL20141002 0.71 MCL1 (0.46) PKMPOLBKMT2ASMN1; SMN2GAA
SCHEMBL20141897 0.71 HTT (0.47) PKMPPARGPOLBGAATSHR
SCHEMBL20140581 0.69 KDM4E (0.52) PPARGMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1295729 0.69 DGAT1 (0.47) PPARGGPR119
SCHEMBL20141494 0.68 HRH3 (0.53) PKMPPARGSMN1; SMN2KDM4ELMNA
SCHEMBL14087184 0.68 HDAC3 (0.49) PKMMEN1KMT2ASMN1; SMN2GAA

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed