SCHEMBL30645375

SCHEMBL30645375

NC(=O)COc1cc(CBr)nc(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL3914534 0.71 ALDH1A1 (0.41) ACACAPOLBBLMTDP1MEN1
SCHEMBL30412517 0.71 BRD4 (0.40) POLBBLMTDP1KMT2AMAPT
SCHEMBL2798360 0.70 MEN1 (0.47) POLBBLMTDP1MEN1KMT2A
SCHEMBL1815388 0.69 ALDH1A1 (0.45) POLBMAPTPDK2KDM4EALDH1A1
SCHEMBL19520606 0.69 HPGD (0.53) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL1818582 0.69 LMNA (0.50) POLBMEN1KMT2AMAPTRAB9A
SCHEMBL10506137 0.69 MEN1 (0.58) POLBBLMTDP1MEN1KMT2A
SCHEMBL18006591 0.69 MCL1 (0.42) POLBTDP1MAPTRAB9AKDM4E
SCHEMBL1662603 0.69 PPARG (0.44) MEN1KMT2AMAPTPDK2KDM4E
SCHEMBL15206311 0.67 KDM4E (0.45) POLBKDM4E

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-2025031383-A1 BIFUNCTIONAL LINKER COMPOUND, ANTIBODY DRUG CONJUGATE, PREPARATION METHOD FOR ANTIBODY DRUG CONJUGATE, AND USE OF ANTIBODY DRUG CONJUGATE 杭州爱科瑞思生物医药有限公司 2025-02-13 — — WO disclosed
CN-117069793-A Bifunctional linker compound, antibody drug conjugate, and preparation methods and applications thereof 杭州爱科瑞思生物医药有限公司 2023-11-17 — — CN disclosed
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