SCHEMBL24496120

SCHEMBL24496120

CCC(C)(C)c1ccc2[nH]c(-c3cccc(-c4nc5ccc(C(C)(C)CC)cc5[nH]4)c3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CYP1A2 P05177 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ DGAT1 O75907 2/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.46
▸ SCD O00767 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45

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
SCHEMBL13472814 0.95 HDAC6 (0.47) NPBWR1USP2MEN1POLBKMT2A
SCHEMBL24496122 0.88 METAP2 (0.52) NPBWR1MEN1POLBKMT2AGAA
SCHEMBL13890377 0.83 CYP3A4 (0.45) NPBWR1USP2MEN1POLBKMT2A
SCHEMBL13873244 0.81 CYP3A4 (0.43) NPBWR1USP2MEN1POLBKMT2A
SCHEMBL14271001 0.80 PDPK1 (0.41) USP2MEN1POLBKMT2AGAA
SCHEMBL13472809 0.77 HDAC6 (0.43) NPBWR1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL13564112 0.77 CYP3A4 (0.43) NPBWR1USP2MEN1POLBKMT2A
SCHEMBL23056250 0.76 HDAC6 (0.73) MEN1POLBKMT2AGAAHDAC6
SCHEMBL13472818 0.76 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10576078 0.75 HDAC6 (0.52) NPBWR1USP2MEN1POLBKMT2A

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
US-20220181665-A1 CATALYST, ELECTRODE, MEMBRANE ELECTRODE ASSEMBLY, AND AIR BATTERY ZEON CORPORATION (JP) 2022-06-09 — — US disclosed
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