SCHEMBL7230677

SCHEMBL7230677

CC(=O)c1ccc(NCCC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.59
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
PKM P14618 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
PRSS1 P07477 4/20 0.52
PTGER4 P35408 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 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
SCHEMBL3440916 0.86 HCAR3 (0.57) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL5591690 0.84 HCAR3 (0.56) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL14106643 0.84 PRSS1 (0.55) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL11267808 0.83 HCAR3 (0.81) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL14457839 0.82 MAPT (0.53) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL5092011 0.81 HCAR3 (0.50) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL11543635 0.81 HCAR3 (0.57) HCAR3MAPTALDH1A1RAB9ANPC1
Methane SCHEMBL27449377 0.81 MAPT (0.54) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL5591726 0.80 ALDH1A1 (0.50) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL6215124 0.80 KAT2B (0.47) HCAR3MAPTALDH1A1RAB9ANPC1

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
US-6506738-B1 Treatment of viral infections. More particularly, the invention provides benzimidazolone derivatives for the treatment of respiratory syncytial virus infection. BRISTOL-MYERS SQUIBB COMPANY 2003-01-14 US disclosed
WO-2002026228-A1 BENZIMIDAZOLONE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-04 WO disclosed