SCHEMBL24329888

SCHEMBL24329888

OCCCNC(=S)Nc1ccc(I)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
GAA P10253 3/20 0.67
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.56
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
IDO1 P14902 1/20 0.53
CDK1 P06493 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
P2RY6 Q15077 1/20 0.50
GPR174 Q9BXC1 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4575974 0.82 LMNA (0.87) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL31276967 0.79 CDK1 (0.82) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL17595823 0.77 LMNA (0.79) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL19328343 0.77 CA1 (0.65) LMNAGAAALDH1A1KMT2AMAPT
SCHEMBL10786460 0.76 LMNA (0.82) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL11797289 0.71 LMNA (0.68) LMNAGAAALDH1A1KMT2AKDM4E
SCHEMBL14574192 0.71 CDK1 (0.63) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL11772198 0.71 CDK1 (0.63) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL11206964 0.71 CDK1 (0.68) LMNAGAAALDH1A1KMT2AKDM4E
SCHEMBL13886027 0.71 CYP1A2 (0.72) LMNAGAAALDH1A1KMT2AMAPT

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-116782903-A Substituted pyridone compounds and uses thereof 南京再明医药有限公司 2023-09-19 CN disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed