SCHEMBL11280733

SCHEMBL11280733

NC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.56
HCAR3 P49019 4/20 0.54
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 3/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
PARP1 P09874 1/20 0.50
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
THRB P10828 2/20 0.45
THRA P10827 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 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
SCHEMBL31612034 0.89 HCAR3 (0.68) KMT2AHCAR3MAPTSMN1; SMN2MEN1
SCHEMBL29200760 0.84 MAPT (0.55) KMT2AHCAR3MAPTSMN1; SMN2MEN1
SCHEMBL11248788 0.78 HCAR3 (0.46) KMT2AHCAR3MAPTSMN1; SMN2MEN1
SCHEMBL30503507 0.76 HCAR3 (0.74) PKMHCAR3MAPTSMN1; SMN2HTT
SCHEMBL9248820 0.75 HCAR3 (0.50) KMT2APKMHCAR3MAPTSMN1; SMN2
SCHEMBL11448393 0.74 MEN1 (0.58) KMT2AHCAR3MAPTMEN1MAPK1
SCHEMBL16004968 0.74 ABCB1 (0.59) KMT2APKMMAPTSMN1; SMN2MEN1
SCHEMBL9313579 0.73 ALDH1A1 (0.61) HCAR3MAPTALDH1A1MAPK1CRHBP
SCHEMBL5274373 0.72 ALDH1A1 (0.50) KMT2AHCAR3MAPTSMN1; SMN2MEN1
SCHEMBL18342758 0.72 HCAR3 (0.56) KMT2AHCAR3MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 US disclosed