SCHEMBL9019307

SCHEMBL9019307

CCCCCc1cc(C#N)c(C#N)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 13/20 0.45
KMT2A Q03164 1/20 0.44
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PARP1 P09874 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GHSR Q92847 1/20 0.36

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
SCHEMBL9015258 0.82 GPR84 (0.45) GPR84KMT2ACTSVCTSLALDH1A1
SCHEMBL27021212 0.77 L3MBTL1 (0.37) GPR84KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL21060905 0.77 HCAR2 (0.47) GPR84KMT2AALDH1A1
SCHEMBL9019271 0.76 HCAR2 (0.47) GPR84KMT2A
SCHEMBL21060990 0.73 KDM4E (0.49) GPR84KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL12827393 0.71 MAPT (0.51) GPR84KMT2AALDH1A1HIF1AEPAS1
SCHEMBL16416384 0.69 TSHR (0.44) KMT2AALDH1A1TSHRHSD17B10
SCHEMBL2609819 0.69 TSHR (0.44) KMT2AALDH1A1TSHRHSD17B10
SCHEMBL8450876 0.69 TSHR (0.44) KMT2AALDH1A1TSHRHSD17B10
SCHEMBL27902962 0.69 TSHR (0.44) KMT2AALDH1A1TSHRHSD17B10

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
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed