SCHEMBL7744554

SCHEMBL7744554

Cc1ccccc1C1NCCS1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HTR2C P28335 5/20 0.46
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ERN1 O75460 1/20 0.40
KDM1A O60341 1/20 0.36
BRD4 O60885 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
PRCP P42785 1/20 0.33
PBRM1 Q86U86 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL8951248 0.78 MAPT (0.44) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL30683722 0.78 MAPT (0.44) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL27288856 0.78 SMN1; SMN2 (0.51) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL4924276 0.77 MAPT (0.53) MAPTTDP1ALDH1A1SMN1; SMN2ERN1
SCHEMBL4655299 0.72 MAPT (0.66) MAPTTDP1ALDH1A1SMN1; SMN2HTR2B
SCHEMBL30683723 0.71 ERN1 (0.48) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL24005476 0.71 HTR2C (0.43) HTR2CALDH1A1KDM1ABRD4DDB1
SCHEMBL27380856 0.71 MAPT (0.42) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL27298715 0.71 MAPT (0.39) MAPTHTR2CTDP1ALDH1A1SMN1; SMN2
SCHEMBL10803166 0.70 HTR2C (0.48) HTR2CALDH1A1KDM1ADDB1CRBN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999461-A Selectivity S1P1Dosage regimen for receptor agonists 埃科特莱茵药品有限公司 2017-08-01 CN disclosed
CN-106999462-A Include selective S1P1The pharmaceutical composition of receptor stimulating agent 埃科特莱茵药品有限公司 2017-08-01 CN disclosed
EP-2497574-A1 CATALYST FOR PRODUCTION OF BISPHENOL COMPOUND AND METHOD FOR PRODUCING BISPHENOL COMPOUND Mitsubishi Chemical Corporation (JP) 2012-09-12 EP disclosed
US-6429343-B1 Process for producing bisphenol a IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-08-06 US disclosed
EP-1160229-A1 PROCESS FOR PRODUCING BISPHENOL A IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-12-05 EP disclosed