SCHEMBL24879103

SCHEMBL24879103

CCOC(=O)CCSc1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 10/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 4/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SHMT2 P34897 1/20 0.41

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
SCHEMBL5556466 0.89 PTGDR2 (0.45) MAPTKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL3911561 0.85 ALDH1A1 (0.51) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13948874 0.85 MAPT (0.51) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL4842128 0.83 MAPT (0.45) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL5450459 0.83 MAPT (0.47) MAPTKMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4842123 0.82 MAPT (0.44) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL4841406 0.82 MAPT (0.46) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL1244912 0.82 APEX1 (0.54) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL7344673 0.82 ALDH1A1 (0.61) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL4833229 0.81 MAPT (0.45) MAPTKMT2APOLBKDM4EALDH1A1

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-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed