SCHEMBL14100444

SCHEMBL14100444

NC(=S)NC1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.60
▸ ACHE P22303 2/20 0.57
▸ BACE1 P56817 2/20 0.57
▸ KCNH2 Q12809 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TEAD1 P28347 2/20 0.51
▸ BCHE P06276 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL3325622 0.87 ALDH1A1 (0.68) SIGMAR1ACHEBACE1KCNH2ALDH1A1
Bromide SCHEMBL8824061 0.85 ALDH1A1 (0.67) SIGMAR1ACHEBACE1KCNH2ALDH1A1
SCHEMBL14115981 0.85 SIGMAR1 (0.67) SIGMAR1ACHEBACE1KCNH2KMT2A
SCHEMBL14115982 0.81 SMN1; SMN2 (0.58) SIGMAR1ACHEBACE1ALDH1A1MAPK1
SCHEMBL14116032 0.78 ACHE (0.62) SIGMAR1ACHEBACE1BCHE
SCHEMBL5844682 0.78 BACE1 (0.61) SIGMAR1ACHEBACE1KCNH2ALDH1A1
SCHEMBL14116235 0.78 SIGMAR1 (0.74) SIGMAR1ACHEBACE1KCNH2
SCHEMBL14101123 0.78 SIGMAR1 (0.70) SIGMAR1ACHEBACE1KMT2ATEAD1
SCHEMBL14100464 0.77 SIGMAR1 (0.64) SIGMAR1ACHEBACE1KMT2ATEAD1
SCHEMBL12642482 0.77 SIGMAR1 (0.72) SIGMAR1ACHEBACE1

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
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — WO disclosed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 — — EP disclosed
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