SCHEMBL6015632

SCHEMBL6015632

O=C(Cn1c[c]c2ccccc21)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6015734 0.84 KMT2A (0.50) GAATSHRMAPTPOLBL3MBTL1
SCHEMBL6015703 0.80 REN (0.39) TPSAB1TPSD1TPSG1POLBLOXL2
SCHEMBL6016055 0.78 CBX7 (0.55) SIGMAR1GAALMNATSHRCYP2C19
SCHEMBL27601791 0.76 SIGMAR1 (0.44) SIGMAR1TSHRPOLBRXFP1KMT2A
SCHEMBL6015950 0.75 KMT2A (0.50) GAALMNAMAPTKMT2AALDH1A1
SCHEMBL17956252 0.74 SIGMAR1 (0.43) SIGMAR1LMNATSHRL3MBTL1ALDH1A1
SCHEMBL6015644 0.73 IDO1 (0.42) LMNACYP2C19POLBL3MBTL1KMT2A
SCHEMBL20458926 0.69 LMNA (0.58) GAALMNACYP2C9CYP2C19L3MBTL1
SCHEMBL9581979 0.67
SCHEMBL6015620 0.67 HTT (0.50) SIGMAR1GAAMAPTPOLBL3MBTL1

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