SCHEMBL23053142

SCHEMBL23053142

CN1C=CC=CC1c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPEPPS P55786 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
CTH P32929 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
SCHEMBL7939397 0.79 ALDH1A1 (0.36) ALDH1A1MAPTCASP1NPC1RAB9A
SCHEMBL20013229 0.77 BRD4 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL23019015 0.76 CCR1 (0.40) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL22084209 0.76 ASIC3 (0.34)
Iodide SCHEMBL28890119 0.75 PKM (0.40) ALDH1A1MAPTCASP1NPC1RAB9A
SCHEMBL16291997 0.74 NPEPPS (0.38) ALDH1A1MAPTCASP1NPC1RAB9A
SCHEMBL4639335 0.71 GPR119 (0.43) ALDH1A1CASP1NPEPPSKDM4EPOLB
SCHEMBL10521307 0.69 CYP1A2 (0.36) MAPTLMNACYP1A2NPSR1L3MBTL1
SCHEMBL7941068 0.69 ALDH1A1 (0.40) ALDH1A1MAPTCASP1NPC1RAB9A
SCHEMBL7591219 0.69 CHRNB2 (0.40) ALDH1A1MAPTCASP1NPC1RAB9A

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-2023144545-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2023-08-03 WO disclosed
WO-2021039536-A1 METHOD FOR PRODUCING POLYMER COMPOUND, POLYMER COMPOUND, COMPOSITION, ELECTROCHROMIC ELEMENT, DISPLAY DEVICE, AND DIMMING DEVICE 国立研究開発法人物質・材料研究機構 2021-03-04 WO disclosed