SCHEMBL3227005

SCHEMBL3227005

CS(=O)(=O)c1cccc(NC(=O)c2cc(Nc3ccccc3)ncn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 9/20 0.57
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
S1PR1 P21453 1/20 0.49
CSNK2A1 P68400 1/20 0.49
EGFR P00533 3/20 0.49
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA1 P00915 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
SCHEMBL3225379 0.95 TNNI3K (0.60) TNNI3KMEN1ALDH1A1KMT2AS1PR1
SCHEMBL3226692 0.87 TNNI3K (0.56) TNNI3KMEN1ALDH1A1KMT2AS1PR1
SCHEMBL3226154 0.84 S1PR1 (0.61) MEN1ALDH1A1KMT2AS1PR1EGFR
SCHEMBL3219928 0.81 NPC1 (0.56) MEN1KMT2AS1PR1EGFRJAK2
SCHEMBL2862662 0.79 SMN1; SMN2 (0.65) MEN1ALDH1A1KMT2AATM
SCHEMBL3227055 0.78 S1PR1 (0.58) TNNI3KMEN1ALDH1A1KMT2AS1PR1
SCHEMBL3221150 0.78 S1PR1 (0.58) TNNI3KMEN1ALDH1A1KMT2AS1PR1
SCHEMBL3229139 0.78 S1PR1 (0.72) MEN1KMT2AS1PR1EGFRJAK2
SCHEMBL1891661 0.77 KDR (0.66) TNNI3K
SCHEMBL3228067 0.77 EGFR (0.58) MEN1KMT2AS1PR1EGFRJAK2

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 6 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-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
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed