SCHEMBL10879656

SCHEMBL10879656

CCCCCCC(C)N(CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 1/20 0.38
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 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
SCHEMBL8438393 0.98 SIGMAR1 (0.40) CSNK1EALDH1A1KCNH2NPC1JAK2
SCHEMBL4342404 0.93 POLB (0.37) ALDH1A1KCNH2NPC1JAK2RAB9A
SCHEMBL8438389 0.86 NPC1 (0.39) CSNK1EALDH1A1KCNH2NPC1JAK2
SCHEMBL7163078 0.86 NPC1 (0.39) CSNK1EALDH1A1KCNH2NPC1JAK2
SCHEMBL28298055 0.85 TP53 (0.39) ALDH1A1KCNH2SIGMAR1TP53MAPT
SCHEMBL11290517 0.85 CSNK1E (0.43) CSNK1EALDH1A1KCNH2SIGMAR1MEN1
SCHEMBL5223757 0.84 CSNK1E (0.42) CSNK1EALDH1A1KCNH2NPC1JAK2
SCHEMBL5226408 0.84 CSNK1E (0.42) CSNK1EALDH1A1KCNH2NPC1JAK2
SCHEMBL13227403 0.83 ESR1 (0.43) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL2493913 0.82 CSNK1E (0.41) CSNK1EALDH1A1KCNH2NPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170222150-A1 PHOTOELECTRIC CONVERSION ELEMENT RICOH COMPANY, LTD. (JP) 2017-08-03 US disclosed
EP-0178874-A1 Alkylsulfonamidophenylalkylamines ELI LILLY AND COMPANY (US) 1986-04-23 EP disclosed