SCHEMBL24101680

SCHEMBL24101680

Cc1nnc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CCNK O75909 2/20 0.47
▸ DDB1 Q16531 2/20 0.47

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
SCHEMBL24101683 0.89 MEN1 (0.61) MAPTRAB9ANPC1ESR1POLB
SCHEMBL24101688 0.85 NPC1 (0.68) MAPTRAB9ANPC1KDM4EPOLB
SCHEMBL24101692 0.81 MAPT (0.65) MAPTRAB9ANPC1ESR1POLB
SCHEMBL24101404 0.78 CCNK (0.52) MAPTRAB9ANPC1KDM4EESR1
SCHEMBL12050105 0.77 MAPT (0.70) MAPTRAB9ANPC1KDM4EPOLB
SCHEMBL24101742 0.72 CCNK (0.72) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL14625682 0.72 MAPT (0.52) MAPTRAB9ANPC1KDM4EPOLB
SCHEMBL10466156 0.71 ALOX5 (0.55) MAPTRAB9ANPC1KDM4EPOLB
SCHEMBL14069895 0.71 MAPT (0.52) MAPTKDM4EPOLBHTTALDH1A1
SCHEMBL12050079 0.70 MAPT (0.59) MAPTRAB9ANPC1POLBHSD17B10

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-2021249517-A1 A MOLECULAR GLUE REGULATING CDK12-DDB1 INTERACTION TO TRIGGER CYCLIN K DEGRADATION NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-12-16 — — WO disclosed
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