SCHEMBL6015818

SCHEMBL6015818

CN1CCN(Cc2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CHKA P35790 6/20 0.46
CA2 P00918 1/20 0.46
NCF1 P14598 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
MC4R P32245 1/20 0.45
PARP1 P09874 1/20 0.42
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR6 P50406 1/20 0.40
MPO P05164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6015822 0.95 CHKA (0.55) LMNACHKACA2NCF1PRMT6
SCHEMBL6015967 0.77 L3MBTL3 (0.50) PARP1ALDH1A1
SCHEMBL6015766 0.71 ALDH1A1 (0.43) CHKAPARP1ALDH1A1KDM4EMAPT
SCHEMBL3217535 0.71 MAP3K11 (0.56) LMNACHKAMC4RFLT1HRH4
SCHEMBL6346133 0.70 MAOA (0.33) PARP1
Ammonia Solution, Strong SCHEMBL27758936 0.70 MAP3K11 (0.55) LMNACHKAMC4RFLT1HRH4
SCHEMBL6015885 0.70 ALDH1A1 (0.43) PARP1ALDH1A1HTR6KDM4EMAPT
SCHEMBL6015833 0.69 KMT2A (0.52) ALDH1A1HRH4MAPT
SCHEMBL13535291 0.69 MC4R (0.74) LMNACHKACA2NCF1PRMT6
SCHEMBL2141792 0.69 TNIK (0.52) LMNACHKACA2NCF1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
CN-1636005-A Benzothiazinone and benzoxazinone compounds KNOLL AG (DE) 2005-07-06 CN disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed