SCHEMBL3227236

SCHEMBL3227236

CC(C)(C)c1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.57
EGFR P00533 3/20 0.50
ERBB3 P21860 3/20 0.50
KCNK9 Q9NPC2 1/20 0.50
KCNH2 Q12809 1/20 0.48
KMO O15229 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
NAMPT P43490 1/20 0.46
KDR P35968 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.44
PIP4K2A P48426 1/20 0.44
PIP4K2B P78356 1/20 0.44

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
SCHEMBL3226154 0.88 S1PR1 (0.61) S1PR1EGFRERBB3KMONPC1
SCHEMBL3229082 0.88 KCNH2 (0.59) S1PR1EGFRERBB3KCNH2KMO
SCHEMBL3225399 0.85 S1PR1 (0.59) S1PR1KCNH2NPC1RAB9AKMT2A
SCHEMBL3227055 0.85 S1PR1 (0.58) S1PR1EGFRERBB3KMORAB9A
SCHEMBL3221150 0.85 S1PR1 (0.58) S1PR1EGFRERBB3KMORAB9A
SCHEMBL3229139 0.85 S1PR1 (0.72) S1PR1EGFRERBB3KMONPC1
SCHEMBL3228067 0.84 EGFR (0.58) S1PR1EGFRERBB3KMONPC1
SCHEMBL3230524 0.83 KDR (0.54) S1PR1EGFRERBB3TRPV1NPC1
SCHEMBL3261684 0.82 SMN1; SMN2 (0.60) S1PR1EGFRKMT2AKDRSMN1; SMN2
SCHEMBL3227103 0.81 KMO (0.59) KCNK9KCNH2KMOTRPV1NPC1

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