SCHEMBL3720311

SCHEMBL3720311

CCCNc1cc(N(C)C(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.51
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KAT2B Q92831 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3719024 0.90 HCAR3 (0.61) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL3719487 0.82 HCAR3 (0.62) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL8111762 0.78 MAPT (0.58) MAPTALDH1A1PKMNPSR1KAT2B
SCHEMBL11877200 0.78 ALDH1A1 (0.57) HCAR3MAPTALDH1A1PKMNPSR1
SCHEMBL5591726 0.77 ALDH1A1 (0.50) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL7800550 0.76 HTT (0.57) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL3721854 0.76 MAPT (0.60) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL11878741 0.75 HCAR3 (0.55) HCAR3MAPTALDH1A1RAB9ANPSR1
SCHEMBL3636228 0.75 KAT2B (0.69) HCAR3MAPTALDH1A1PKMNPC1
SCHEMBL11552885 0.75 HCAR3 (0.54) HCAR3MAPTALDH1A1PKMNPC1

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-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed