SCHEMBL29101139

SCHEMBL29101139

COc1ccc2c(c1)C=C(c1ccccc1)CN2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.46
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ KCNN4 O15554 1/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ RYR2 Q92736 1/20 0.42
▸ CD4 P01730 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL29101146 0.89 KCNN4 (0.47) HSD11B1MAPTMMP2KCNN4KCNA3
SCHEMBL29714451 0.86 KCNN4 (0.54) HSD11B1MAPTLMNAALDH1A1MMP2
SCHEMBL28836746 0.86 KCNN4 (0.54) HSD11B1MAPTLMNAALDH1A1MMP2
SCHEMBL29714461 0.83 KCNN4 (0.48) HSD11B1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL28836779 0.83 KCNN4 (0.48) HSD11B1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL30688098 0.82 KCNN4 (0.56) HSD11B1LMNASMN1; SMN2MMP2KCNN4
SCHEMBL29101134 0.82 KCNN4 (0.56) HSD11B1LMNASMN1; SMN2MMP2KCNN4
SCHEMBL29714455 0.79 KCNN4 (0.44) HSD11B1MAPTLMNAKDM4EKMT2A
SCHEMBL29101138 0.79 KCNN4 (0.44) HSD11B1MAPTLMNAKMT2AMEN1
SCHEMBL29101141 0.79 KCNN4 (0.44) HSD11B1MAPTLMNAKDM4EKMT2A

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
CN-114716374-B 3-bit substituted dihydroquinoline derivative and preparation method thereof 武汉工程大学 2023-11-07 — — CN disclosed
CN-114716374-A 3-substituted dihydroquinoline derivative and preparation method thereof 武汉工程大学 2022-07-08 — — CN disclosed
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