SCHEMBL3220047

SCHEMBL3220047

O=C(NCc1cccs1)c1cc(N2CCCCC2)ncn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 3/20 0.47
DCTPP1 Q9H773 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
SCHEMBL3231445 0.81 MMP13 (0.67) SMN1; SMN2ALDH1A1RAB9ANPC1TSHR
SCHEMBL3233111 0.74 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL3232618 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HPGDRAB9ATSHR
SCHEMBL3224937 0.73 RAB9A (0.56) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL8335113 0.72 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL5214229 0.71 HPGD (0.61) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL24455026 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL29561912 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL8349486 0.70 MMP13 (0.57) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL8348532 0.70 MMP13 (0.57) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1

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