SCHEMBL6015923

SCHEMBL6015923

O=C(CN1CCCC1)c1c[nH]c2[c]cccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 8/20 0.50
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRIN2B Q13224 1/20 0.45
HTT P42858 1/20 0.42
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 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
SCHEMBL6016069 0.99 KMT2A (0.64) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015749 0.90 KMT2A (0.51) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015634 0.89 KMT2A (0.49) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015996 0.89 ALDH1A1 (0.50) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015793 0.82 KMT2A (0.46) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL1413908 0.77 KMT2A (1.00) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015887 0.75 LMNA (0.59) ALDH1A1LMNASMN1; SMN2HTTCYP2D6
SCHEMBL6015920 0.74 ALDH1A1 (0.39) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL6015775 0.73 LMNA (0.61) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL3871239 0.72 ATM (0.54) KMT2AALDH1A1MAPTTSHR

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