SCHEMBL6015702

SCHEMBL6015702

Cc1[c]cn(CC(=O)N2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.43
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
KHK P50053 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
KDM1A O60341 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
GPR4 P46093 1/20 0.33
KCNH2 Q12809 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
SCHEMBL2068285 0.87 KMT2A (0.43) KMT2APOLBALDH1A1SMN1; SMN2GAA
SCHEMBL2067370 0.84 POLB (0.46) KMT2APOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL2067169 0.83 SMN1; SMN2 (0.50) KMT2APOLBALDH1A1SMN1; SMN2GAA
SCHEMBL6015646 0.77 KDM4E (0.47) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL13102474 0.72 POLB (0.50) KMT2APOLBALDH1A1TPSAB1TPSD1
SCHEMBL13066495 0.68 ALDH1A1 (0.54) KMT2APOLBALDH1A1GAAPKM
SCHEMBL13149530 0.67 KMT2A (0.47) KMT2APOLBALDH1A1TPSAB1TPSD1
SCHEMBL16416393 0.67 ALDH1A1 (0.54) KMT2APOLBALDH1A1TPSAB1TPSD1
SCHEMBL1901376 0.67 KMT2A (0.50) KMT2APOLBALDH1A1TPSAB1TPSD1
SCHEMBL15322932 0.67 POLB (0.50) KMT2APOLBALDH1A1TPSAB1TPSD1

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
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