SCHEMBL9329295

SCHEMBL9329295

CCCO/N=C(\[C]=O)c1nc(N)sc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9331960 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2FBP1KDM4EPKM
SCHEMBL9329442 0.88
SCHEMBL9692247 0.87
SCHEMBL9332138 0.83 ALDH1A1 (0.32) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL8315921 0.82 KDM4E (0.36) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL9021181 0.82 KDM4E (0.36) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL10965550 0.79 COPS5 (0.33) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL9331996 0.79 ALDH1A1 (0.31) ALDH1A1CYP1A2KDM4EPKMSMN1; SMN2
SCHEMBL2454062 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2FBP1KDM4EPKM
SCHEMBL9328932 0.76 ALDH1A1 (0.38) ALDH1A1CYP1A2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP disclosed
EP-0164122-B1 CEPHEM COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1990-09-19 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed