SCHEMBL6016069

SCHEMBL6016069

O=C(CN1CCCCC1)c1c[nH]c2[c]cccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 3/20 0.47
GRIN2B Q13224 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
PMP22 Q01453 1/20 0.40
MAOB P27338 1/20 0.40
RGS12 O14924 1/20 0.40

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
SCHEMBL6015923 0.99 KMT2A (0.62) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6015749 0.88 KMT2A (0.51) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6015996 0.88 ALDH1A1 (0.50) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6015634 0.88 KMT2A (0.49) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6015793 0.83 KMT2A (0.46) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL1413908 0.79 KMT2A (1.00) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL6015775 0.75 LMNA (0.61) LMNASMN1; SMN2ALDH1A1MAPTCYP2D6
SCHEMBL6015887 0.74 LMNA (0.59) LMNASMN1; SMN2ALDH1A1CYP2D6TSHR
SCHEMBL6015920 0.73 ALDH1A1 (0.39) KMT2ALMNAMEN1SMN1; SMN2ALDH1A1
SCHEMBL3871239 0.71 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