SCHEMBL3222586

SCHEMBL3222586

O=C(Nc1ccc(F)cc1)c1cc(N2CCc3ccccc32)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
GRM1 Q13255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3226753 0.94 LMNA (0.48) IDO1RAB9AMEN1KMT2AMAPT
SCHEMBL3231212 0.82 GRM1 (0.46) RAB9ANPC1MAPTPOLBGRM1
SCHEMBL3226746 0.76 RAB9A (0.63) RAB9AKMT2ANPC1MAPTALDH1A1
SCHEMBL3232678 0.74 RAB9A (0.65) RAB9ANPC1MAPTCYP1A2CYP3A4
SCHEMBL3231464 0.73 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6762394 0.71 ROCK1 (0.51) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL3226691 0.71 RAB9A (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL3231560 0.70 KCNQ3 (0.54) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL9378178 0.70 ROCK1 (0.56) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL3232609 0.69 RAB9A (0.55) RAB9ANPC1LMNAKDM4EHSD17B10

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 6 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-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
WO-2010020432-A2 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2010-02-25 WO disclosed