SCHEMBL19973201

SCHEMBL19973201

CCCCCCc1cc(N)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HCAR2 Q8TDS4 2/20 0.41
GPR84 Q9NQS5 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
NOS2 P35228 1/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL2810659 0.98 KCNH2 (0.41) KCNH2HCAR2GPR84ALDH1A1LMNA
SCHEMBL4057745 0.92 NOS2 (0.46) KCNH2HCAR2ALDH1A1LMNAMAPT
SCHEMBL6293331 0.84
SCHEMBL21401553 0.79 HCAR2 (0.58) KCNH2HCAR2GPR84HCAR3
SCHEMBL28317128 0.79 HCAR2 (0.58) KCNH2HCAR2GPR84HCAR3
SCHEMBL21297657 0.78 HCAR2 (0.57) KCNH2HCAR2GPR84HCAR3
Bromide SCHEMBL31310739 0.78 HCAR2 (0.57) KCNH2HCAR2GPR84HCAR3
SCHEMBL5960663 0.77 HCAR2 (0.57) KCNH2HCAR2GPR84HCAR3
SCHEMBL9712671 0.76 LMNA (0.34) HCAR2GPR84ALDH1A1LMNAMAPT
SCHEMBL1072255 0.76

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
EP-3512604-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE Noxell Corporation (US) 2019-07-24 EP disclosed
WO-2018053027-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE NOXELL CORPORATION (US) 2018-03-22 WO disclosed