SCHEMBL3226485

SCHEMBL3226485

O=C(Nc1cccnc1)c1cc(Nc2ccccc2Cl)ncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
CYP11B2 P19099 2/20 0.55
S1PR1 P21453 1/20 0.54
RAB9A P51151 3/20 0.52
MCL1 Q07820 1/20 0.49
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP11B1 P15538 1/20 0.47
LMNA P02545 1/20 0.47
NAMPT P43490 1/20 0.47
SGMS2 Q8NHU3 2/20 0.47
NOTUM Q6P988 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
KCNMA1 Q12791 1/20 0.46

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
SCHEMBL3225334 0.87 RAB9A (0.57) CYP11B2S1PR1RAB9ANPC1MEN1
SCHEMBL31520136 0.81 LMNA (0.61) CYP11B2RAB9ANPC1MEN1ALDH1A1
SCHEMBL29594106 0.75 HSD17B10 (0.61) CYP11B2RAB9ANPC1ALDH1A1CYP11B1
SCHEMBL1938467 0.75 KMO (0.63) CYP11B2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3226154 0.75 S1PR1 (0.61) S1PR1RAB9ANPC1MEN1ALDH1A1
SCHEMBL1937820 0.74 KMO (0.76) CYP11B2RAB9ANPC1MAPTCYP11B1
SCHEMBL22926342 0.73 HTT (1.00) HTTCYP11B2RAB9ANPC1MEN1
SCHEMBL30459283 0.73 KMO (0.62) HTTCYP11B2RAB9ANPC1MEN1
SCHEMBL16217862 0.73 KMO (0.62) HTTCYP11B2RAB9ANPC1MEN1
SCHEMBL1938396 0.73 MAPT (0.56) CYP11B2RAB9ANPC1MEN1ALDH1A1

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
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO claimed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO claimed
WO-2010020432-A8 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED (BS) 2010-03-11 WO disclosed
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed