SCHEMBL25435693

SCHEMBL25435693

NC(=O)Oc1ccccc1C=CC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
CCNB2 O95067 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
NFE2L2 Q16236 2/20 0.42
TFEB P19484 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRC P12931 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 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
SCHEMBL26106629 0.85 ALDH1A1 (0.55) NFE2L2TFEBPTGDR2HTTALDH1A1
SCHEMBL6475481 0.82 CDK4 (0.52) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL15330637 0.82 CDK4 (0.52) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL1682771 0.79 KMT2A (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL30075900 0.79 KMT2A (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL1682770 0.79 KMT2A (0.54) CDK4CCND1CCNB2CDK1CCNB1
SCHEMBL4585584 0.78 KMT2A (0.40) NFE2L2TFEBKDM4EPTGDR2HTT
SCHEMBL4193610 0.78 NFE2L2 (0.41) NFE2L2TFEBKDM4EPTGDR2HTT
SCHEMBL29728552 0.76 KMT2A (0.52) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL7029967 0.76 KMT2A (0.52) KDM4EHTTALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078021-A1 BCMA MONOCLONAL ANTIBODY AND THE ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 WO disclosed