SCHEMBL3233111

SCHEMBL3233111

CC(C)CNC(=O)c1cc(N2CCCCC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
HRH4 Q9H3N8 1/20 0.45
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KMO O15229 1/20 0.43
NAPEPLD Q6IQ20 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.40
PARP1 P09874 1/20 0.39
PRMT5 O14744 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
DHODH Q02127 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3232618 0.81 ALDH1A1 (0.46) SMN1; SMN2HRH4RAB9AALDH1A1KMO
SCHEMBL3231445 0.78 MMP13 (0.67) SMN1; SMN2HRH4RAB9AALDH1A1NAPEPLD
SCHEMBL12168416 0.74 KMO (0.71) SMN1; SMN2RAB9AALDH1A1KMONPC1
SCHEMBL3220047 0.74 SMN1; SMN2 (0.65) SMN1; SMN2HRH4RAB9AALDH1A1KMT2A
SCHEMBL13474216 0.73 KMO (0.73) SMN1; SMN2RAB9AALDH1A1KMONPC1
SCHEMBL28825917 0.73 KMO (0.55) SMN1; SMN2RAB9AALDH1A1KMOKMT2A
SCHEMBL13457037 0.71 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1KMOKMT2A
SCHEMBL3232729 0.71 HSD11B1 (0.63) SMN1; SMN2RAB9AALDH1A1KMOKMT2A
SCHEMBL3226746 0.71 RAB9A (0.63) SMN1; SMN2RAB9AALDH1A1KMT2AGAA
SCHEMBL19548104 0.68 SMN1; SMN2 (0.61) SMN1; SMN2HRH4RAB9AALDH1A1NPC1

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