SCHEMBL11318951

SCHEMBL11318951

CCN(CC)c1nc2cc(C)c(C)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
KAT8 Q9H7Z6 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRK1 P41145 1/20 0.35
CCR6 P51684 1/20 0.35

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
SCHEMBL4503387 0.87 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL12994624 0.79 MAPT (0.45) GAAALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL5664958 0.77 TERT (0.39) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL5664965 0.77 TERT (0.39) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL29754566 0.75 APP (0.48) ALDH1A1SMN1; SMN2CYP3A4NPC1RAB9A
SCHEMBL26448038 0.75 APP (0.48) ALDH1A1SMN1; SMN2CYP3A4NPC1RAB9A
SCHEMBL18344090 0.75 MAPT (0.49) GAAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL30917945 0.75 DYRK1A (0.46) GAAALDH1A1KAT8LMNAHTT
SCHEMBL10387972 0.73 CYP3A4 (0.52) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL30093446 0.72 NPC1 (0.77) GAAALDH1A1SMN1; SMN2TP53CYP3A4

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-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed