SCHEMBL3241792

SCHEMBL3241792

O=Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PRKAB2 O43741 3/20 0.45
PRKAG1 P54619 3/20 0.45
PRKAA2 P54646 3/20 0.45
PRKAA1 Q13131 3/20 0.45
PRKAG3 Q9UGI9 3/20 0.45
PRKAG2 Q9UGJ0 3/20 0.45
PRKAB1 Q9Y478 3/20 0.45
MCHR1 Q99705 1/20 0.44
SRC P12931 2/20 0.44
ABL1 P00519 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
LYN P07948 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
BCR P11274 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 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
SCHEMBL21821894 0.91 HPGD (0.47) HPGDKDM4EDRD1DRD4DRD5
SCHEMBL3242889 0.89 KDM4E (0.47) CD274NPC1RAB9APRKAB2PRKAG1
SCHEMBL18810223 0.85 HRH3 (0.49) KDM4ESIGMAR1
SCHEMBL19291998 0.79 CD274 (0.53) CD274NPC1RAB9ASRCABL1
SCHEMBL210577 0.79 LTA4H (0.63) NPC1RAB9AHPGDKDM4ELTA4H
SCHEMBL18259694 0.79 LTA4H (0.60) MCHR1KDRKDM4EDRD1DRD4
Hydrochloric Acid SCHEMBL5692401 0.78 NPC1 (0.63) NPC1RAB9AHPGDKDM4ELTA4H
SCHEMBL3247613 0.77 NPC1 (0.53) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL3249454 0.77 KDR (0.57) CD274NPC1RAB9AHPGDKDR
SCHEMBL55617 0.75 SIGMAR1 (0.48) NPC1RAB9AKDM4EDRD1DRD4

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 3 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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed