SCHEMBL24862845

SCHEMBL24862845

COC(=O)c1cc(Br)ccc1-c1cccc2oc3c(c12)C=CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ PTPRC P08575 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ ATM Q13315 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TOP2A P11388 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL23974745 0.83 SLC6A3 (0.38) HTTKMT2ASLC6A3PTPRCABCG2
SCHEMBL24896043 0.80 HTT (0.40) HTTKMT2ASLC6A3PTPRCHSD17B3
SCHEMBL18566642 0.76 ABCG2 (0.51) HTTKMT2ASLC6A3ABCG2ATM
SCHEMBL22005386 0.75 ALDH1A1 (0.39) HTTKMT2ASLC6A3PTPRCATM
SCHEMBL26551052 0.73 MEN1 (0.34) KMT2AALDH1A1MAPTTSHRKDM4E
SCHEMBL2482051 0.73 NR4A2 (0.54) HTTSLC6A3ALDH1A1GAASMN1; SMN2
SCHEMBL19774227 0.71 KMT2A (0.35) HTTKMT2ASLC6A3PTPRCABCG2
SCHEMBL18165288 0.71 HDAC8 (0.50) HTTKMT2ASLC6A3ABCG2ALDH1A1
SCHEMBL21102389 0.70 HDAC8 (0.49) HTTKMT2ASLC6A3ABCG2ATM
SCHEMBL7656620 0.69 SLC6A3 (0.61) HTTKMT2ASLC6A3HSD17B3ALDH1A1

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
EP-4116297-A1 CONDENSED FLUORENE DERIVATIVE COMPRISING HETEROCYCLIC RING SFC Co., Ltd. (KR) 2023-01-11 — — EP disclosed
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