SCHEMBL29244281

SCHEMBL29244281

Cc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MAPT P10636 4/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 4/20 0.54
▸ FLT1 P17948 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4617530 0.87 SFRP1 (0.57) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27935857 0.86 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL5565189 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL15717313 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL29244485 0.83 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL6102921 0.81 SFRP1 (0.59) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL17974015 0.80 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL28897034 0.80 ALDH1A1 (0.84) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL4617387 0.79 SFRP1 (0.68) ALDH1A1MAPTNPC1LMNASMN1; SMN2
SCHEMBL4618286 0.78 SFRP1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1

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-118290334-A Preparation method of Lifeiste key intermediate 上海医药工业研究院有限公司 2024-07-05 — — CN disclosed
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