SCHEMBL6015894

SCHEMBL6015894

COCCCNCC(=O)c1ccc2[c]c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGER4 P35408 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL6015656 0.89 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2RAB9ALMNA
SCHEMBL6015884 0.89 HPGD (0.39) ALDH1A1HPGDGAASMN1; SMN2NPC1
SCHEMBL27620069 0.83 TSHR (0.37) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL6015845 0.83 KDM4E (0.31) ALDH1A1HPGDNPC1KDM4EPOLB
SCHEMBL6016013 0.79 ALDH1A1 (0.37) ALDH1A1HDAC6HPGDGAASMN1; SMN2
SCHEMBL6015672 0.79 EPHX1 (0.33) ALDH1A1HPGDKMT2A
SCHEMBL6016047 0.77 HTR3A (0.39) ALDH1A1HPGDGAAKDM4ECYP2D6
SCHEMBL6016037 0.77 HDAC6 (0.39) ALDH1A1HDAC6KDM4ELMNACYP2D6
SCHEMBL6015948 0.76 HTR3A (0.41) ALDH1A1HPGDKDM4ECYP2D6KMT2A
SCHEMBL6015762 0.76 HTR3A (0.41) ALDH1A1HPGDKDM4ECYP2D6KMT2A

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 6 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
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