SCHEMBL25318965

SCHEMBL25318965

OC1(c2c[nH]c3ccccc23)NO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
TP53 P04637 2/20 0.44
PIM1 P11309 1/20 0.43
GPR84 Q9NQS5 2/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
AHR P35869 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PBRM1 Q86U86 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
SCHEMBL29651245 0.76 MGAM (0.44) MGAMGAASIMGAM2TP53
SCHEMBL24729172 0.76 MGAM (0.44) MGAMGAASIMGAM2TP53
SCHEMBL21048592 0.70 PIM1 (0.53) MGAMGAASIMGAM2TP53
SCHEMBL7859854 0.70 SLC6A4 (0.54) MGAMGAASIMGAM2TP53
SCHEMBL17622901 0.70 PIM1 (0.60) MGAMGAASIMGAM2TP53
SCHEMBL19180067 0.69 MGAM (0.41) MGAMGAASIMGAM2TP53
SCHEMBL22864444 0.68 ATM (0.48) MGAMGAASIMGAM2PIM1
SCHEMBL31347809 0.68 MGAM (0.58) MGAMGAASIMGAM2PIM1
SCHEMBL21307359 0.68 MGAM (0.58) MGAMGAASIMGAM2PIM1
SCHEMBL30344459 0.68 CYP2D6 (0.48) MGAMGAASIMGAM2TP53

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-2023137771-A1 METHOD FOR SYNTHESIZING α-ALKYL SUBSTITUTED INDOLE-3-CARBOXALDEHYDE COMPOUND 苏州大学 2023-07-27 WO disclosed