SCHEMBL29922012

SCHEMBL29922012

CC1(O)OC(=O)c2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
PDK2 Q15119 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FTO Q9C0B1 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 6/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
PTPRC P08575 2/20 0.38
ALOX12 P18054 2/20 0.38

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
SCHEMBL29606664 0.84 POLB (0.46) POLBPDK2MEN1KMT2AFTO
SCHEMBL21013530 0.84 POLB (0.46) POLBPDK2MEN1KMT2AFTO
Hydrochloric Acid SCHEMBL30504137 0.82 POLB (0.45) POLBPDK2MEN1KMT2AFTO
SCHEMBL31073015 0.79 OPRM1 (0.47) PDK2ALDH1A1TP53LMNAMAPT
SCHEMBL7697104 0.76 CFTR (0.50) POLBMEN1KMT2AFTOSMN1; SMN2
SCHEMBL6742481 0.75 MEN1 (0.54) POLBPDK2MEN1KMT2AFTO
SCHEMBL1771795 0.71 ALDH1A1 (0.42) POLBPDK2MEN1KMT2ASMN1; SMN2
SCHEMBL29922159 0.71 POLB (0.39) POLBPDK2MEN1KMT2AFTO
SCHEMBL1814585 0.70 ALDH1A1 (0.40) POLBMEN1KMT2AFTOSMN1; SMN2
SCHEMBL11826152 0.69 MEN1 (0.48) POLBPDK2MEN1KMT2AFTO

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-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed