SCHEMBL30853471

SCHEMBL30853471

FC(F)c1cc2c(cc1-c1cncnc1)CCCN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CREBBP Q92793 9/20 0.33
▸ CYP11B2 P19099 4/20 0.32
▸ CYP19A1 P11511 3/20 0.32
▸ CYP11B1 P15538 3/20 0.32
▸ AR P10275 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ EP300 Q09472 1/20 0.31

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
SCHEMBL23930147 1.00 MAPT (0.35) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL24258519 0.82 PDE3B (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL29403112 0.80 CREBBP (0.50) CREBBPBRD4EP300
SCHEMBL17785637 0.80 CREBBP (0.50) CREBBPBRD4EP300
SCHEMBL31565516 0.78 MAPT (0.31) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL31565360 0.78 AR (0.32) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL23930103 0.74 CREBBP (0.39) CREBBPBRD4EP300
SCHEMBL30023382 0.74 CREBBP (0.39) CREBBPBRD4EP300
SCHEMBL24316742 0.73 CREBBP (0.52) MAPTCREBBPBRD4EP300
SCHEMBL30992903 0.73 CREBBP (0.41) MAPTKDM4EGAACREBBPCYP11B2

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-115397822-B CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2024-04-16 — — CN disclosed
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