SCHEMBL8091097

SCHEMBL8091097

O=C(O)C1CC=CC2CNCC21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 3/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABAT P80404 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GAA P10253 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL8084536 0.68
SCHEMBL8091114 0.68 GBA1 (0.35) GAA
SCHEMBL8084254 0.67 MEN1 (0.48) KMT2AMEN1POLBTDP1GAA
SCHEMBL2811192 0.65 GABRR1 (0.43) KMT2AMEN1TSHR
SCHEMBL13221050 0.65 GABRR1 (0.43) KMT2AMEN1TSHR
SCHEMBL4445650 0.65 GABRR1 (0.43) KMT2AMEN1TSHR
SCHEMBL31737192 0.65 POLB (0.54) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL10739509 0.65 POLB (0.54) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL22160590 0.65 GABRR1 (0.43) KMT2AMEN1TSHR
SCHEMBL6335676 0.65 GABRR1 (0.43) KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed