SCHEMBL29651245

SCHEMBL29651245

OC1(c2c[nH]c3ccccc23)COC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PIM1 P11309 1/20 0.43
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ATM Q13315 1/20 0.41
FTO Q9C0B1 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL24729172 1.00 MGAM (0.44) MGAMGAASIMGAM2KDM4E
SCHEMBL7859854 0.79 SLC6A4 (0.54) MGAMGAASIMGAM2PIM1
SCHEMBL25318965 0.76 MGAM (0.45) MGAMGAASIMGAM2KDM4E
SCHEMBL30344459 0.74 CYP2D6 (0.48) MGAMGAASIMGAM2PIM1
Hydrochloric Acid SCHEMBL11221310 0.73 CYP2D6 (0.51) MGAMGAASIMGAM2KDM4E
SCHEMBL11226658 0.71 DRD3 (0.46) KDM4EATMTP53MAPT
SCHEMBL29651185 0.70 MGAM (0.35) MGAMGAASIMGAM2KDM4E
SCHEMBL22864438 0.70 MGAM (0.35) MGAMGAASIMGAM2KDM4E
SCHEMBL22750609 0.70 SLC6A3 (0.41) GAAKDM4ECYP2D6SLC6A2SLC6A4
SCHEMBL22864444 0.70 ATM (0.48) MGAMGAASIMGAM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 EP disclosed