SCHEMBL3245564

SCHEMBL3245564

O=Cc1ccccc1-c1ccc(NCCc2ccccn2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
MKNK1 Q9BUB5 2/20 0.47
APP P05067 3/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDK9 P50750 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
CNR2 P34972 1/20 0.38
HSD11B1 P28845 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL3244689 0.84 HIF1A (0.42) LMNAALDH1A1TAAR1RAB9AHIF1A
SCHEMBL3242005 0.81 CYP1A2 (0.58) CYP1A2MKNK1APPLMNATDP1
SCHEMBL3244438 0.79 CYP1A2 (0.52) CYP1A2MKNK1APPLMNACDK9
SCHEMBL3243114 0.76 CYP1A2 (0.61) CYP1A2MKNK1APPLMNATDP1
SCHEMBL3244025 0.76 CYP1A2 (0.61) CYP1A2MKNK1APPLMNAHRH3
SCHEMBL3242098 0.75 PDE10A (0.45) NPC1RAB9ACNR2
SCHEMBL3241788 0.74 PDE10A (0.46)
SCHEMBL3245556 0.74 KDM4E (0.47) ALDH1A1
SCHEMBL27513658 0.73 CYP1A2 (1.00) CYP1A2MKNK1APPLMNATDP1
SCHEMBL6677526 0.72 CYP1A2 (0.69) CYP1A2MKNK1APPLMNATDP1

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed