SCHEMBL30578988

SCHEMBL30578988

NC(=O)c1cc(Cl)nc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ S1PR2 O95136 2/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAP4K4 O95819 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ LCK P06239 1/20 0.32

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
SCHEMBL27238086 1.00 BRD4 (0.39) BRD4LMNAS1PR2PARP1HTT
SCHEMBL2526042 0.83 TPMT (0.43) LMNAS1PR2TSHRSMN1; SMN2
SCHEMBL3281481 0.82 LMNA (0.48) BRD4LMNAS1PR2PARP1HTT
SCHEMBL29102677 0.78 TDP1 (0.37) S1PR2
SCHEMBL1425072 0.78 HTT (0.43) BRD4LMNAPARP1HTTPOLB
SCHEMBL3511223 0.77 ALDH1A1 (0.48) LMNAS1PR2HTTPOLBSMN1; SMN2
Nitrous Acid SCHEMBL29102679 0.77 TPMT (0.38) S1PR2TSHRSMN1; SMN2
SCHEMBL13280621 0.77 IKBKB (0.40) BRD4LMNAHTTTSHRSMN1; SMN2
Benzamide SCHEMBL29088364 0.76 PARP1 (0.57) BRD4PARP1MKNK1MKNK2POLB
SCHEMBL27682477 0.76 TSHR (0.48) BRD4LMNAPARP1MKNK1MKNK2

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-116848099-A Cyclin K degrading agent 杭州阿诺生物医药科技有限公司 2023-10-03 — — CN disclosed
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