SCHEMBL9364778

SCHEMBL9364778

N#C/C(=C\c1ccc(C#N)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 3/20 0.71
EGFR P00533 2/20 0.71
CISD1 Q9NZ45 1/20 0.71
SLC16A3 O15427 1/20 0.71
CYP3A4 P08684 1/20 0.71
HPGD P15428 1/20 0.71
SLC16A1 P53985 1/20 0.71
GPR35 Q9HC97 1/20 0.71
PKM P14618 1/20 0.69
KMT2A Q03164 1/20 0.69
ATM Q13315 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL4680322 1.00 KDM4E (0.71) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL4680326 1.00 KDM4E (0.71) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL10413058 0.90 EGFR (0.85) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL4600830 0.90 EGFR (0.85) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL4600832 0.90 EGFR (0.85) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL7903277 0.84 KDM4E (0.62) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL11450464 0.84 MCL1 (0.69) KDM4EALDH1A1EGFRHPGDPKM
SCHEMBL230148 0.84 KDM4E (0.62) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL230147 0.84 KDM4E (0.62) KDM4EALDH1A1EGFRCISD1SLC16A3
SCHEMBL8749181 0.83 EGFR (1.00) KDM4EALDH1A1EGFRCISD1SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335641-B1 Organic nonlinear optical substance TEIJIN LTD (JP) 1994-01-05 EP disclosed
US-5196147-A Optical crystals TEIJIN LIMITED (JP) 1993-03-23 US disclosed
EP-0335641-A2 Organic nonlinear optical substance TEIJIN LIMITED (JP) 1989-10-04 EP disclosed
US-4680413-A Process for the production of 3-phenyl-4-cyanopyrroles NIPPON SODA CO., LTD. (JP) 1987-07-14 US disclosed