SCHEMBL3249454

SCHEMBL3249454

O=Cc1ccc(-c2ccc(NCCN3CCOCC3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.57
FYN P06241 3/20 0.53
SYK P43405 2/20 0.50
ATR Q13535 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CD274 Q9NZQ7 3/20 0.46
MELK Q14680 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TLR9 Q9NR96 1/20 0.44
CHRM1 P11229 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
SCHEMBL1256254 0.84 KDR (0.57) KDRFYNSYKATRNPC1
Hydrochloric Acid SCHEMBL1257055 0.83 KDR (0.56) KDRFYNSYKATRNPC1
SCHEMBL1256249 0.81 KDR (0.54) KDRFYNATRNPC1RAB9A
SCHEMBL3243091 0.80 CYP1A2 (0.64) KDRFYNATRNPC1RAB9A
SCHEMBL4061161 0.78 LMNA (0.49) NPC1RAB9AKDM4ELMNAMAPT
SCHEMBL3241792 0.77 CD274 (0.49) KDRNPC1RAB9ACD274KDM4E
SCHEMBL1257160 0.77 KDR (0.50) KDRFYNATRNPC1RAB9A
SCHEMBL21064292 0.77 KDR (0.55) KDRFYNSYKATRNPC1
SCHEMBL13771534 0.76 ABL1 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2961915 0.76 BACE1 (0.51) KDRFYNATRNPC1RAB9A

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-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed