SCHEMBL3225399

SCHEMBL3225399

CC(C)(C)c1ccc(NC(=O)c2cc(Nc3ccc(CCO)cc3)ncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.59
NR1H4 Q96RI1 3/20 0.47
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
HSF1 Q00613 1/20 0.44
CNR1 P21554 1/20 0.43
KDR P35968 4/20 0.42
RET P07949 1/20 0.42
KCNH2 Q12809 1/20 0.42
FLT1 P17948 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FYN P06241 1/20 0.41

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
SCHEMBL3227236 0.85 S1PR1 (0.57) S1PR1KDRKCNH2SMN1; SMN2NPC1
SCHEMBL3230524 0.78 KDR (0.54) S1PR1NR1H4KDRSMN1; SMN2NPC1
SCHEMBL3261684 0.77 SMN1; SMN2 (0.60) S1PR1NR1H4KDRSMN1; SMN2LMNA
SCHEMBL3225448 0.76 S1PR1 (0.47) S1PR1KDRSMN1; SMN2NPC1RAB9A
SCHEMBL3040423 0.74 S1PR1 (1.00) S1PR1
SCHEMBL3229082 0.74 KCNH2 (0.59) S1PR1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL3227860 0.74 EGFR (0.58) S1PR1KDRKCNH2NPC1RAB9A
SCHEMBL3222813 0.73 EGFR (0.64) S1PR1KCNH2SMN1; SMN2NPC1RAB9A
SCHEMBL3226154 0.73 S1PR1 (0.61) S1PR1KDRSMN1; SMN2NPC1RAB9A
SCHEMBL3226839 0.72 S1PR1 (0.62) S1PR1

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