SCHEMBL25379641

SCHEMBL25379641

COc1ccc(CNc2nc(Cc3ccc(OC)cc3)nc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
NPSR1 Q6W5P4 3/20 0.64
EGFR P00533 1/20 0.56
MAPK1 P28482 3/20 0.56
BLM P54132 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RECQL P46063 1/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 4/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 3/20 0.51
PKM P14618 2/20 0.48
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL29072235 0.87 ATM (0.50) MAPTNPSR1EGFRBLMLMNA
SCHEMBL23589666 0.85 MAPT (0.48) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL29072197 0.82 APP (0.50) MAPTNPSR1EGFRALDH1A1
SCHEMBL563184 0.81 EGFR (0.53) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL10506512 0.78 EGFR (0.57) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL562257 0.77 MAPT (0.49) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL563543 0.77 MAPT (0.48) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL18409145 0.74 EGFR (0.55) MAPTNPSR1EGFRMAPK1BLM
SCHEMBL29090412 0.74 ATM (0.51) MAPTNPSR1EGFRBLMHPGD
SCHEMBL30547170 0.74 ATM (0.51) MAPTNPSR1EGFRBLMHPGD

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-2023165570-A1 CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2023-09-07 WO disclosed
CN-116693458-A Cycloalkyl or heterocyclyl substituted heteroaryl compounds, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2023-09-05 CN disclosed