SCHEMBL3226746

SCHEMBL3226746

O=C(Nc1ccc(F)cc1)c1cc(N2CCCCC2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 6/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
EGFR P00533 1/20 0.49
ERBB3 P21860 1/20 0.49
PKM P14618 1/20 0.49
KLF5 Q13887 1/20 0.49
KMT2A Q03164 1/20 0.48
ELOVL1 Q9BW60 2/20 0.47
GAA P10253 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL3232678 0.88 RAB9A (0.65) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL13457037 0.88 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL3231464 0.87 RAB9A (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL3232609 0.82 RAB9A (0.55) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL3224965 0.78 RAB9A (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL3226753 0.77 LMNA (0.48) RAB9ASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL3222586 0.76 IDO1 (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL3231560 0.76 KCNQ3 (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL3231156 0.75 F10 (0.50) SMN1; SMN2ALDH1A1HTTMAPK1MAPT
SCHEMBL3226691 0.74 RAB9A (0.51) RAB9ASMN1; SMN2ALDH1A1NPC1HTT

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