SCHEMBL29856280

SCHEMBL29856280

CCC#Cc1cccnc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.44
NOS3 P29474 4/20 0.44
NOS1 P29475 1/20 0.44
TLR8 Q9NR97 1/20 0.36
CSF1R P07333 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5925793 0.79 MAPK14 (0.47) NOS2NOS3NOS1NAPRTLTA4H
SCHEMBL16728957 0.79 NOS3 (0.48) NOS2NOS3NOS1CSF1RNAPRT
SCHEMBL18188367 0.78 GRM5 (0.49) KDM4EALDH1A1CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6025094 0.77 PTPN1 (0.42) NOS2NOS3NOS1TLR8CSF1R
SCHEMBL510673 0.76 NOS3 (0.45) NOS2NOS3NOS1CSF1RNAPRT
SCHEMBL24693564 0.75 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1CYP2D6
SCHEMBL23269104 0.74 NOS3 (0.44) NOS2NOS3NOS1CSF1RNAPRT
SCHEMBL624629 0.73 FFAR1 (0.47) NOS2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3978730 0.72 CYP3A4 (0.55) TLR8NPC1KDM4EALDH1A1CYP2C19
SCHEMBL18952028 0.72 MAPT (0.57) NOS2NOS3NOS1NAPRTLTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed