SCHEMBL1552885

SCHEMBL1552885

CC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 1/20 0.54
KAT2B Q92831 1/20 0.53
VCAM1 P19320 2/20 0.53
PKM P14618 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.47
ALDH3A1 P30838 1/20 0.46
DYRK1A Q13627 1/20 0.46
MERTK Q12866 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL22636823 0.87 MAPT (0.55) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL13756121 0.86 MAPT (0.53) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL11223332 0.85 KAT2B (0.56) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL8892128 0.83 KAT2B (0.52) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL10263672 0.83 MAPT (0.50) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL29505853 0.82 MAPT (0.51) MAPTHTTKMT2ARAB9AKAT2B
SCHEMBL18764684 0.82 MAPT (0.51) MAPTHTTKMT2ARAB9AKAT2B
SCHEMBL694246 0.81 NPSR1 (0.66) MAPTNPSR1HTTKMT2APKM
SCHEMBL2249706 0.81 VCAM1 (0.58) MAPTHTTKMT2ARAB9AKAT2B
SCHEMBL639550 0.81 MAPT (0.51) MAPTNPSR1HTTKMT2ARAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590332-B1 A PROCESS FOR THE SYNTHESIS OF BISBENZIMIDAZOLES AND THEIR DERIVATIVES. UNIV DELHI (IN) 2011-04-27 EP disclosed
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338315-A RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4293558-A Antiviral thiazolinyl benzimidazoles and derivatives ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed
US-4216313-A Antiviral thiazinyl benzimidazoles ELI LILLY AND COMPANY (US) 1980-08-05 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 US disclosed
US-4150028-A Antiviral thiazolinyl benzimidazoles ELI LILLY AND COMPANY (US) 1979-04-17 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed