SCHEMBL8342160

SCHEMBL8342160

Cc1ccc2c(c1C)N(CCCNS(=O)(=O)c1ccccc1)c1ccccc1[S+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 6/20 0.41
MAPK1 P28482 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 3/20 0.39
TSHR P16473 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL6746847 0.79 HTR2A (0.41) HTR2A
SCHEMBL6746868 0.77 DRD2 (0.39) HTR1AHTR2A
SCHEMBL6748820 0.76 DPP7 (0.36) KDM4ELMNASMN1; SMN2
SCHEMBL6751602 0.76 CA12 (0.43) KDM4EMAPK1TSHRSLC6A4
SCHEMBL6751558 0.73 SIGMAR1 (0.36)
SCHEMBL6749853 0.72 KDM1A (0.46) ALDH1A1SMN1; SMN2MAPK1HTR1A
SCHEMBL6751559 0.70 MC4R (0.44) ALDH1A1LMNATSHR
SCHEMBL6744792 0.67 TK1 (0.40)
SCHEMBL812683 0.66 ALDH1A1 (0.75) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL7094855 0.65 L3MBTL1 (0.59) ALDH1A1LMNAMAPK1MBTD1L3MBTL1

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
JP-11100373-A None JP disclosed
JP-H11100373-A NEW PHENOTHIAZINE DERIVATIVE AND ITS MEDICINE EISAI CO LTD 1999-04-13 JP disclosed