SCHEMBL29941302

SCHEMBL29941302

O=C1C2=CC=NC2=Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
APAF1 O14727 2/20 0.39
LMNA P02545 2/20 0.39
GALK1 P51570 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 1/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SRC P12931 2/20 0.36
CTRB1 P17538 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
AHR P35869 2/20 0.36
RECQL P46063 2/20 0.36

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
SCHEMBL8905893 0.85 IDO1 (0.33)
SCHEMBL30168823 0.85 IDO1 (0.33)
SCHEMBL27840600 0.83 IDO1 (0.32)
Glyoxylate SCHEMBL2364947 0.76 IDO1 (0.33) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL25251959 0.75 TDP2 (0.39) MEN1KMT2AALDH1A1KDM4EHKDC1
SCHEMBL28551012 0.75 TDP2 (0.39) MEN1KMT2AHKDC1CDK2TDP1
SCHEMBL29941290 0.73 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1120300 0.73 MAPT (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL29352286 0.73 MAPT (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL21316073 0.68 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1KDM4E

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed