SCHEMBL9330100

SCHEMBL9330100

Fc1ccc(C[n+]2cc[c]cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.45
▸ KDM2A Q9Y2K7 2/20 0.45
▸ CHKA P35790 3/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL7891723 0.78 CHKA (0.52) CHKALMNA
SCHEMBL19504164 0.75 CHKA (0.68) KDM4AKDM2ACHKABCHEACHE
Bromide SCHEMBL19468773 0.73 CHKA (0.71) KDM4AKDM2ACHKABCHEACHE
SCHEMBL10692064 0.70 CHKA (0.57) CHKAACHELMNA
SCHEMBL7356264 0.70 BCHE (0.48) CHKABCHEACHELMNA
SCHEMBL3032997 0.69 IDO1 (0.44) IDO1LOXL2TAAR1LMNA
SCHEMBL15456066 0.69 TAAR1 (0.52) IDO1LOXL2TAAR1
Bromide SCHEMBL9691766 0.68 CHKA (0.58) CHKAACHELMNA
SCHEMBL27326354 0.67 IDO1 (0.42) IDO1LOXL2TAAR1LMNA
Bromide SCHEMBL10917081 0.66 CHKA (0.47) KDM4AKDM2ACHKABCHEACHE

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
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-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 — — EP 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-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-0164122-A2 Cephem compounds 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
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