SCHEMBL9986348

SCHEMBL9986348

Cc1ccc(CC(N)=O)c(N2CCC(Nc3ccccc3[N+](=O)[O-])CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.48
▸ MAPT P10636 9/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ CTPS1 P17812 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH3A1 P30838 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
SCHEMBL9982859 0.82 MAPK1 (0.48) MAPK1MAPTLMNAPKMRAB9A
SCHEMBL9982465 0.75 MAPT (0.55) MAPK1MAPTLMNAPKMRAB9A
SCHEMBL16407599 0.71 MAPK1 (0.60) MAPK1MAPTLMNAPKMRAB9A
SCHEMBL4910166 0.71 LMNA (0.63) MAPK1MAPTLMNAKMT2AMEN1
SCHEMBL13547430 0.71 MAPK1 (0.66) MAPK1MAPTPKMRAB9AKMT2A
SCHEMBL3992139 0.70 MAPK1 (0.65) MAPK1MAPTPKMRAB9AKMT2A
SCHEMBL3992132 0.70 MAPK1 (0.65) MAPK1MAPTPKMRAB9AKMT2A
SCHEMBL22588060 0.70 MAPK1 (0.73) MAPK1MAPTLMNAPKMRAB9A
SCHEMBL718625 0.69 MAPK1 (0.65) MAPK1MAPTPKMRAB9AKMT2A
SCHEMBL3950396 0.69 HCAR3 (0.57) MAPK1MAPTLMNAPKMRAB9A

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-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 — — EP disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — WO disclosed
Send feedback