SCHEMBL8335154

SCHEMBL8335154

CCCCCCCCCN(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.57
ADRB1 P08588 4/20 0.57
ADRB3 P13945 4/20 0.57
GHSR Q92847 1/20 0.55
LIMK1 P53667 3/20 0.53
LIMK2 P53671 3/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PKM P14618 1/20 0.50
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
CACNA1B Q00975 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL10945926 0.80 GHSR (0.53) ADRB2ADRB1ADRB3GHSRLIMK1
SCHEMBL11726442 0.79 TRPV1 (0.46) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL11726228 0.79 TRPV1 (0.46) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL11891712 0.78 FFAR1 (0.66) ADRB2ADRB1ADRB3GHSRLIMK1
SCHEMBL11733685 0.77 TRPV1 (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL28032113 0.77 ALDH1A1 (0.73) LIMK1LIMK2KMT2AMEN1CA12
SCHEMBL94910 0.76 NPC1 (0.51) MAPT
SCHEMBL11256312 0.76 NPC1 (0.51) MAPT
SCHEMBL21916561 0.76 NPC1 (0.51) MAPT
SCHEMBL21337225 0.76 NPC1 (0.51) MAPT

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-5994398-A ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed