SCHEMBL29059899

SCHEMBL29059899

C=CN1C(C)C(C(=O)c2ccc(Br)cc2)C(F)C1C(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.40
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL13665689 0.63 HSD11B1 (0.41) HSD11B1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9421729 0.61 LMNA (0.59) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL2892140 0.61 LMNA (0.59) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL29059756 0.59 MEN1 (0.37) HSD11B1MEN1KMT2ANPC1SMN1; SMN2
Formaldehyde SCHEMBL28064665 0.58 CYP2A6 (0.50) MEN1KMT2ANPC1SMN1; SMN2RAB9A
Methyl Alcohol SCHEMBL28191829 0.58 SMN1; SMN2 (0.54) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL10337830 0.57 BCL2L1 (0.57) MEN1KMT2ANPC1SMN1; SMN2RAB9A
Ethylene SCHEMBL27487890 0.56 CYP2A6 (0.53) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL29525203 0.56 — —
SCHEMBL1622 0.56 — —

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-116640135-A Preparation method of 3-carbonyl-2-fluoro substituted indolizine compound 平顶山学院 2023-08-25 — — CN disclosed
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