SCHEMBL3225448

SCHEMBL3225448

COCCNc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
KDR P35968 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 2/20 0.43
PDGFRB P09619 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
APEX1 P27695 1/20 0.42
CASP7 P55210 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL3231957 0.86 S1PR1 (0.48) S1PR1PRMT5WDR77SMN1; SMN2RAB9A
SCHEMBL3230524 0.78 KDR (0.54) S1PR1KDRSMN1; SMN2RAB9AMAPT
SCHEMBL3227236 0.78 S1PR1 (0.57) S1PR1KDRSMN1; SMN2RAB9ANPC1
SCHEMBL15830195 0.78 PRMT5 (0.48) S1PR1PRMT5WDR77LMNACYP1A2
SCHEMBL3229169 0.78 MAPT (0.51) S1PR1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL3261684 0.77 SMN1; SMN2 (0.60) S1PR1KDRSMN1; SMN2MAPTKMT2A
SCHEMBL13472414 0.76 HCAR3 (0.54) PRMT5WDR77LMNACYP1A2CYP2C19
SCHEMBL3225399 0.76 S1PR1 (0.59) S1PR1KDRSMN1; SMN2RAB9AMAPT
SCHEMBL15830250 0.75 PRMT5 (0.52) PRMT5WDR77KMT2ACYP1A2CYP2C19
SCHEMBL3231572 0.74 MEN1 (0.51) RAB9ANPC1KMT2ALMNAMEN1

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