SCHEMBL9053679

SCHEMBL9053679

CCCCN(Cc1c[nH]cn1)c1ccc([S+]([O-])c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
AR P10275 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL631933 0.73 TAAR1 (0.46) NR1H2NR1H3TSHRMAPTNPSR1
SCHEMBL632702 0.72 CNR2 (0.48) NR1H2NR1H3NPC1TSHRRAB9A
SCHEMBL5891787 0.70 FNTA (0.38)
SCHEMBL5891767 0.70 LIMK1 (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL8368374 0.69 FNTA (0.38)
Hydrochloric Acid SCHEMBL8368491 0.69 LIMK1 (0.42) ALDH1A1
SCHEMBL10188359 0.68 CNR2 (0.45) NR1H2NR1H3LMNATP53MAPT
SCHEMBL633148 0.68 NOX1 (0.52) NPC1TSHRRAB9ALMNATP53
SCHEMBL633000 0.68 GRIN2A (0.43) NR1H2NR1H3MAPTALDH1A1HTT
SCHEMBL632294 0.68 TRPM5 (0.50) NR1H2NR1H3NPC1TSHRRAB9A

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-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed