SCHEMBL29067145

SCHEMBL29067145

CC(=O)NCCNC(=O)c1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
APEX1 P27695 1/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 3/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
CREBBP Q92793 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
HCRTR1 O43613 1/20 0.50

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
SCHEMBL30569788 1.00 KMT2A (0.59) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL10889755 0.91 KMT2A (0.69) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL25969064 0.86 KMT2A (0.59) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL29067150 0.84 TSHR (0.54) KMT2AMAPTHTTTSHRKDM4E
SCHEMBL10158103 0.84 HTT (0.68) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL13164083 0.82 KMT2A (0.63) KMT2AMAPTHTTTSHRMAPK1
SCHEMBL5849754 0.81 HTT (0.63) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL9695573 0.81 HTT (0.63) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL6273378 0.81 HTT (0.86) KMT2AAPEX1LMNAMAPTHTT
SCHEMBL14483855 0.81 MAPK1 (0.50) KMT2AAPEX1LMNAMAPTHTT

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
CN-116712561-A Antibody-drug conjugates containing an N-methyleneamide linker 杭州爱科瑞思生物医药有限公司 2023-09-08 CN disclosed