SCHEMBL26224571

SCHEMBL26224571

C/C1=C/c2ccccc2CN(C(N)=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.44
NOTUM Q6P988 2/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
BLM P54132 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN4A P35499 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL21065872 0.89 NOTUM (0.54) HSD17B3NOTUMKCNN4KCNA3LMNA
SCHEMBL21604411 0.84 KDM4E (0.41) HSD17B3NOTUMKDM4EKMT2AMEN1
SCHEMBL19578541 0.84 KDM4E (0.56) HSD17B3NOTUMKDM4EALDH1A1CYP3A4
SCHEMBL10962838 0.79 HSD17B3 (0.52) HSD17B3NOTUMKDM4EKMT2AMEN1
SCHEMBL24240781 0.78 NOTUM (0.55) NOTUMKDM4EKMT2AMEN1ALDH1A1
SCHEMBL20202310 0.78 TSHR (0.39) NOTUMKDM4EKMT2AMEN1ALDH1A1
SCHEMBL19889885 0.77 HSD17B3 (0.53) HSD17B3NOTUMKDM4ESMN1; SMN2HTT
SCHEMBL25961782 0.76 LMNA (0.56) HSD17B3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL27349417 0.76 DRD3 (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22692370 0.76 LMNA (0.41) NOTUMMAPTLMNATSHR

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-2023141855-A1 PROTEIN CONJUGATES WITH MULTIPLE PAYLOADS AND METHODS FOR MAKING THE SAME GLYCO-THERAPY BIOTECHNOLOGY CO., LTD. (CN) 2023-08-03 WO disclosed