SCHEMBL28243733

SCHEMBL28243733

O=S(=O)(c1[c]cccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
PGR P06401 1/20 0.38
APEX1 P27695 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CCR2 P41597 2/20 0.36
HTR6 P50406 1/20 0.36
PRSS1 P07477 1/20 0.35
HSD11B1 P28845 2/20 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
SCHEMBL29001803 0.81 ALDH1A1 (0.54) MAPTLMNAHTTNPSR1MAPK1
SCHEMBL315684 0.76 HTR6 (0.54) ALDH1A1KMT2AHTR6
SCHEMBL30343460 0.75 MAPT (0.54) MAPTLMNAS1PR4S1PR1HTT
SCHEMBL2679084 0.75 MAPT (0.54) MAPTLMNAS1PR4S1PR1HTT
SCHEMBL150811 0.75 HTR6 (0.38) KMT2AHTR6PRSS1
SCHEMBL2458633 0.74 HTR6 (0.58) MAPTLMNAS1PR4S1PR1HTT
SCHEMBL10438578 0.74 PTGS2 (0.40) MAPTLMNAHTTALDH1A1KMT2A
SCHEMBL5146128 0.74 HSD11B1 (0.45) PGRALDH1A1HSD11B1
SCHEMBL310695 0.74 GAA (0.54) MAPTHTTNPSR1ALDH1A1KMT2A
SCHEMBL10438542 0.73 KMT2A (0.44) MAPTLMNAHTTALDH1A1KMT2A

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-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 CN claimed
CN-104619328-B The condensed quinoline alkane glucocorticoid receptor modulator of heteroaryl -one 科赛普特治疗学股份有限公司 2018-10-02 CN disclosed