SCHEMBL5320690

SCHEMBL5320690

CC(C)(C)c1ccc(CSc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
LMNA P02545 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
NPSR1 Q6W5P4 2/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL5321709 0.86 TDP1 (0.57) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5321454 0.82 MAPT (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL29900467 0.81 KDM4E (0.57) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL11710551 0.81 KDM4E (0.57) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL2204262 0.80 TDP1 (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL5318232 0.77 RAB9A (0.47) MAPTLMNARAB9ASMN1; SMN2MEN1
SCHEMBL5326091 0.76 MAPT (0.57) MAPTLMNARAB9ASMN1; SMN2HTT
SCHEMBL1492578 0.75 KDM4E (0.55) MAPTLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL18757785 0.75 MAPT (0.56) MAPTLMNARAB9ASMN1; SMN2HTT
SCHEMBL5658063 0.74 MAPT (0.61) MAPTRAB9ASMN1; SMN2HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007091140-A1 SUBSTITUTED PHENYLSULFAMOYL COMPOUNDS AS PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed