SCHEMBL3719487

SCHEMBL3719487

CCCCNc1ccc(N(C)C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.62
MAPT P10636 7/20 0.56
PKM P14618 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.48
CRHBP P24387 1/20 0.48
RAB9A P51151 1/20 0.48
CRHR2 Q13324 1/20 0.48
KAT2B Q92831 3/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PRSS1 P07477 2/20 0.46

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 0.93 HCAR3 (0.61) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL11877200 0.90 ALDH1A1 (0.57) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL11878741 0.87 HCAR3 (0.55) HCAR3MAPTPOLBALDH1A1NPSR1
SCHEMBL5591726 0.84 ALDH1A1 (0.50) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL3721854 0.83 MAPT (0.60) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL3720311 0.82 HCAR3 (0.51) HCAR3MAPTPKMALDH1A1NPSR1
SCHEMBL11267808 0.80 HCAR3 (0.81) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL14697877 0.78 KMT2A (0.55) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL11744600 0.78 MAPT (0.64) HCAR3MAPTPKMPOLBALDH1A1
SCHEMBL4967065 0.78 MAPT (0.48) HCAR3MAPTALDH1A1NPSR1TSHR

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