SCHEMBL3226915

SCHEMBL3226915

COc1ccccc1Nc1cc(C(=O)Nc2ccccc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.61
TNNI3K Q59H18 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
EGFR P00533 3/20 0.49
ERBB3 P21860 2/20 0.49
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
AHR P35869 1/20 0.48
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
AURKA O14965 2/20 0.47
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
FGFR1 P11362 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
SCHEMBL3227948 0.92 S1PR1 (0.61) S1PR1TNNI3KMEN1KMT2AKDM4E
SCHEMBL29501419 0.86 MAPK10 (0.55) S1PR1TNNI3KKDM4EMAPTALDH1A1
SCHEMBL25389479 0.86 MAPK10 (0.55) S1PR1TNNI3KKDM4EMAPTALDH1A1
SCHEMBL30443326 0.84 MAPK10 (0.55) S1PR1TNNI3KKDM4EMAPTALDH1A1
SCHEMBL25388907 0.84 MAPK10 (0.55) S1PR1TNNI3KKDM4EMAPTALDH1A1
SCHEMBL3226154 0.82 S1PR1 (0.61) S1PR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL23413101 0.80 MEN1 (0.54) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL29887175 0.80 MEN1 (0.54) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23413488 0.79 MAPT (0.55) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23413150 0.79 MAPT (0.53) MEN1KMT2AKDM4EMAPTALDH1A1

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 2 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