SCHEMBL6015658

SCHEMBL6015658

O=C(NCCN1CCCCC1)c1cccc2[c]c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
POLR1A O95602 1/20 0.45
APP P05067 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
ERN1 O75460 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6015719 0.99 POLR1A (0.46) CYP1A2CYP2D6CYP2C9KDM4EHSD17B10
SCHEMBL6015635 0.88 BCL3 (0.56) MEN1KMT2AALDH1A1HPGD
SCHEMBL6015695 0.83 DRD2 (0.47) KDM4EHSD17B10KMT2AALDH1A1POLB
SCHEMBL6015846 0.76 MAPK1 (0.50) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7531492 0.76 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C9KDM4EHSD17B10
SCHEMBL6015678 0.75 HTR3A (0.56) CYP1A2CYP2D6CYP2C9KDM4EHSD17B10
SCHEMBL9581656 0.75 L3MBTL1 (0.40) KMT2AALDH1A1HPGDLMNA
SCHEMBL2964718 0.74 IKBKB (0.57) CYP1A2CYP2D6CYP2C9KDM4EHSD17B10
SCHEMBL15495306 0.74 ALOX5 (0.60) CYP1A2CYP2D6CYP2C9KDM4EPOLR1A
SCHEMBL6015966 0.74 HTR3A (0.54) CYP1A2CYP2D6CYP2C9KDM4EHSD17B10

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
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US 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