SCHEMBL11236764

SCHEMBL11236764

Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)CC(C)(C)C)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HPGD P15428 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.38
HSD17B3 P37058 1/20 0.38
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11233656 0.93 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11237184 0.90 HTT (0.40) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11236765 0.87 KDM4E (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11238393 0.84 NPC1 (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Benzene SCHEMBL9190034 0.83 NPC1 (0.41) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1620086 0.82 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11234227 0.80 NPC1 (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11233663 0.80 CNR1 (0.39) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11237186 0.78 CNR2 (0.40) KDM4ESMN1; SMN2POLBTDP1L3MBTL1
SCHEMBL18375145 0.76 POLB (0.46) KDM4ENPC1RAB9AALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344830-A WEATHERPROOFING GENERAL ELECTRIC COMPANY (US) 1982-08-17 US disclosed