SCHEMBL28076543

SCHEMBL28076543

CCCCN(C(N)=S)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 4/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB2 P07550 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL10417492 0.95 NPC1 (0.56) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL17956761 0.93 NPC1 (0.59) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL17956755 0.93 NPC1 (0.59) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL6920739 0.89 ALDH1A1 (0.50) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL28820658 0.84 NPC1 (0.39) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL28696312 0.84 ALDH1A1 (0.48) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL8611160 0.83 ALDH1A1 (0.38) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL1286183 0.82 NPC1 (0.50) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL1506356 0.82 NPC1 (0.58) NPC1JAK2RAB9APAX8ALDH1A1
SCHEMBL4983976 0.82 MEN1 (0.50) NPC1JAK2RAB9APAX8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4677003-A1 METHOD FOR PRODUCING POLYURETHANES WITHOUT ISOCYANATE Saint-Gobain Weber France (FR) 2026-01-14 EP disclosed
WO-2024184373-A1 METHOD FOR PRODUCING POLYURETHANES WITHOUT ISOCYANATE SAINT-GOBAIN WEBER FRANCE (FR) 2024-09-12 WO disclosed
CN-105755480-B Efficient acidic cleaner 江苏筑磊电子科技有限公司 2018-06-19 CN disclosed
CN-105755480-A Efficient acidic cleaner 江苏筑磊电子科技有限公司 2016-07-13 CN disclosed