SCHEMBL11249148

SCHEMBL11249148

O=C(OC1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
VCAM1 P19320 2/20 0.56
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MC4R P32245 1/20 0.51
MDM2 Q00987 1/20 0.51
HPGD P15428 2/20 0.49
RAF1 P04049 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
MEN1 O00255 2/20 0.46
GAA P10253 1/20 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
SCHEMBL8028091 0.80 VCAM1 (0.60) KMT2AVCAM1MAPTALDH1A1LMNA
SCHEMBL7353109 0.79 PDE5A (0.50) KMT2AMAPTLMNANPSR1HPGD
SCHEMBL13169514 0.77 PTPN2 (0.68) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL20100945 0.77 PTPN2 (0.68) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL17941243 0.77 PTPN2 (0.68) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL10328475 0.77 VCAM1 (0.70) KMT2AVCAM1MAPTALDH1A1LMNA
SCHEMBL27770136 0.77 VCAM1 (0.70) KMT2AVCAM1MAPTALDH1A1LMNA
SCHEMBL30425957 0.77 SLC6A3 (0.53) KMT2AMAPTLMNANPSR1HPGD
SCHEMBL51755 0.76 LMNA (0.72) KMT2AVCAM1MAPTALDH1A1LMNA
SCHEMBL27400395 0.76 PTPN2 (0.70) MAPTALDH1A1LMNAHTTNPSR1

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 6 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
US-4008243-A Antiviral thiazolinyl or thiazinyl benzimidazole esters ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed