SCHEMBL6612062

SCHEMBL6612062

Cc1ccc(C(=O)N[C@@](N)(C(=NC#N)Nc2cccc(F)c2)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MET P08581 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL6614765 0.82 NAMPT (0.55) NPC1RAB9A
SCHEMBL6612688 0.80 CYP11B1 (0.54) NPC1RAB9AKDM4E
SCHEMBL6671955 0.79 NPC1 (0.42) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL6614455 0.76 ABCC9 (0.52) HPGDMEN1KMT2ATSHRKDM4E
SCHEMBL4683418 0.74 KCNJ11 (0.42) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL7140044 0.74 NPC1 (0.41) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL4683414 0.74 KCNJ11 (0.42) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL6642928 0.74 RAB9A (0.47) NPC1RAB9A
SCHEMBL6669216 0.74 RAB9A (0.47) NPC1RAB9A
SCHEMBL6611894 0.73 KCNJ11 (0.40) NPC1RAB9AHPGDMEN1KMT2A

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
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed