SCHEMBL30888343

SCHEMBL30888343

COc1ccc(C23CC(C(=O)CN(C)C)(C2)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.47
▸ HSD11B1 P28845 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ MAOB P27338 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 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
SCHEMBL29598198 0.80 MEN1 (0.49) NAAAHSD11B1LMNASMN1; SMN2OPRM1
SCHEMBL21544698 0.78 NAAA (0.50) NAAAHSD11B1LMNASMN1; SMN2OPRM1
SCHEMBL25387067 0.76 NAAA (0.52) NAAAHSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL18043699 0.73 CA1 (0.55) NAAASLC6A4SLC6A3OPRM1OPRL1
SCHEMBL22362684 0.71 LMNA (0.48) NAAAHSD11B1LMNASMN1; SMN2
SCHEMBL22027030 0.71 NAAA (0.44) NAAAHSD11B1LMNASMN1; SMN2OPRM1
SCHEMBL22026919 0.70 NAAA (0.46) NAAAHSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL25386527 0.69 CA12 (0.41) NAAAHSD11B1LMNASLC6A4SLC6A3
SCHEMBL22027090 0.68 NAAA (0.47) NAAAHSD11B1LMNASMN1; SMN2POLB
SCHEMBL3712653 0.67 HDAC3 (0.61) LMNAALDH1A1

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-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 — — CN disclosed
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