SCHEMBL3720388

SCHEMBL3720388

CCCNc1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ PKM P14618 2/20 0.74
▸ NPC1 O15118 1/20 0.74
▸ CRHBP P24387 1/20 0.74
▸ CRHR2 Q13324 1/20 0.74
▸ HCAR3 P49019 5/20 0.69
▸ PTGER4 P35408 1/20 0.60
▸ LMNA P02545 1/20 0.56
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PRSS1 P07477 4/20 0.49

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
SCHEMBL3717593 0.90 ALDH1A1 (0.60) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL2338538 0.90 HCAR3 (0.67) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL5315342 0.87 MAPT (0.81) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL2688335 0.82 HCAR3 (1.00) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL2245654 0.81 MAPT (0.56) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL17336716 0.81 KMT2A (0.55) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL13077023 0.81 HCAR3 (0.56) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL22118764 0.81 HCAR3 (0.78) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL23417879 0.81 MAPT (0.55) MAPTALDH1A1RAB9APKMNPC1
SCHEMBL2248331 0.80 MAPT (0.54) MAPTALDH1A1RAB9APKMNPC1

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
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