SCHEMBL30323372

SCHEMBL30323372

COc1ccc(CN2CCC(C(=O)NNC(=O)c3ncccc3Br)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MMP1 P03956 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MET P08581 1/20 0.40
▸ MLNR O43193 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ FPR1 P21462 3/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ACKR3 P25106 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
SCHEMBL30323406 0.82 PRKAB2 (0.43) METMLNRCYP3A4FPR1FPR2
SCHEMBL30323350 0.75 MMP1 (0.50) SMN1; SMN2MMP1MMP13CYP3A4CYP2C19
SCHEMBL30323679 0.72 GAA (0.49) SMN1; SMN2MMP1MMP13CYP2C19HDAC1
SCHEMBL30323539 0.72 SMN1; SMN2 (0.44) SMN1; SMN2MMP1MMP13CYP2C19HDAC1
SCHEMBL30323391 0.71 ALDH1A1 (0.52) SMN1; SMN2MMP1MMP13KDM4EALDH1A1
SCHEMBL30323348 0.71 PRKAB2 (0.45) SMN1; SMN2MMP13METALDH1A1
SCHEMBL30323376 0.70 POLB (0.37) SMN1; SMN2MMP1MMP13FPR1FPR2
SCHEMBL20304005 0.69 KDM4E (0.47) MMP1MMP13CYP3A4HDAC1KDM4E
SCHEMBL8562132 0.67 GAA (0.56) SMN1; SMN2MMP1MMP13ALDH1A1MAPK1
SCHEMBL8562128 0.67 GAA (0.56) SMN1; SMN2MMP1MMP13ALDH1A1MAPK1

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
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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