SCHEMBL29547188

SCHEMBL29547188

CC(=O)c1ccn2c(C(=O)c3ccc(C(F)(F)F)cc3)cc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ MTOR P42345 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36
▸ IGFBP3 P17936 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35

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
SCHEMBL29547648 0.87 SRD5A2 (0.43) SRD5A2MAPTXBP1NPSR1FNTA
SCHEMBL26300877 0.85 CYP2C8 (0.43) ALDH1A1AKR1C3AKR1C2SRD5A2MAOB
SCHEMBL26300894 0.84 CYP2C8 (0.42) ALDH1A1AKR1C3AKR1C2SRD5A2MAOB
SCHEMBL25401220 0.83 FNTA (0.51) ALDH1A1MAPTNPSR1FNTAFNTB
SCHEMBL26300911 0.82 BACE1 (0.47) ALDH1A1AKR1C3AKR1C2SRD5A2MAPT
SCHEMBL25402588 0.81 LMNA (0.46) ALDH1A1AKR1C3AKR1C2MAPTNPSR1
SCHEMBL29547634 0.81 FNTA (0.54) SRD5A2MAPTXBP1NPSR1FNTA
SCHEMBL26300978 0.80 BACE1 (0.47) ALDH1A1AKR1C3AKR1C2SRD5A2FNTA
SCHEMBL25400578 0.80 BAZ2B (0.45) ALDH1A1MAPT
SCHEMBL26300929 0.79 PTPN11 (0.42) MAPTMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233864-B1 COMPOSITION COMPRISING AN INDOLIZINE DERIVATIVE AND A CYCLIC DINUCLEOTIDE AS ACTIVE AGENTS UNIV AJOU IND ACADEMIC COOP FOUND (KR) 2025-02-12 — — EP disclosed
WO-2022086260-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING INDOLIZINE DERIVATIVE AS ACTIVE INGREDIENT 아주대학교산학협력단 2022-04-28 — — WO disclosed
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