SCHEMBL3247613

SCHEMBL3247613

Fc1cccc(-c2ccc(OCCN3CCOCC3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SRC P12931 1/20 0.53
HTR2C P28335 2/20 0.48
HTR2B P41595 1/20 0.48
KDR P35968 3/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
ACVR1 Q04771 1/20 0.47
MET P08581 3/20 0.46
KDM4E B2RXH2 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL3242889 0.85 KDM4E (0.47) NPC1RAB9ASRCKDRPRKAB2
SCHEMBL19560133 0.79 KDM4E (0.61) NPC1RAB9AKDM4E
SCHEMBL19292003 0.79 SRC (0.56) SRCHTR2CHTR2BATMHTR2A
SCHEMBL254874 0.79 SRC (0.75) SRCHTR2CHTR2A
SCHEMBL18996610 0.78 PRKAB2 (0.57) NPC1RAB9ASRCKDRPRKAB2
SCHEMBL29711611 0.78 PRKAB2 (0.57) NPC1RAB9ASRCKDRPRKAB2
SCHEMBL3241792 0.77 CD274 (0.49) NPC1RAB9ASRCKDRPRKAB2
SCHEMBL13356420 0.76 KDM4E (0.53) NPC1RAB9AHTR2BKDRPRKAB2
SCHEMBL3247942 0.76 CNR2 (0.57) NPC1RAB9AKDRPRKAB2PRKAG1
SCHEMBL7444934 0.76 KDR (0.56) KDRACVR1

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