SCHEMBL9630967

SCHEMBL9630967

Nc1ccc(Sc2cc(Br)ccc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 1/20 0.48
PDE7A Q13946 6/20 0.47
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PDE7B Q9NP56 1/20 0.37
DHFR P00374 2/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ANXA2 P07355 1/20 0.35
S100A10 P60903 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL10537532 0.81 MAOA (0.33) ALOX15DHFRSMN1; SMN2
SCHEMBL10540076 0.81 NR1H2 (0.48) ALOX15DHFRCYP2C19CYP2D6CYP2C9
SCHEMBL7263834 0.79 HSP90AA1 (0.44) MAPK1TSHRALDH1A1ALOX15MAPT
SCHEMBL29661773 0.79 HSP90AA1 (0.44) MAPK1TSHRALDH1A1ALOX15MAPT
SCHEMBL9418077 0.77 MAPK1 (0.74) MAPK1CYP3A4TSHRPDE7AALDH1A1
SCHEMBL4979446 0.77 MAPK1 (0.74) MAPK1CYP3A4TSHRPDE7AALDH1A1
SCHEMBL7190382 0.76 PDE7A (0.60) MAPK1CYP3A4TSHRPDE7AALDH1A1
SCHEMBL22802304 0.72 TUBB4A (0.58) CYP1A2
SCHEMBL8953859 0.71 MAPK1 (0.56) MAPK1CYP3A4TSHRPDE7AALDH1A1
SCHEMBL223419 0.69 HSP90AA1 (0.44) MAPK1TSHRALDH1A1ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0296250-A1 POLYARYLENE SULFIDE AND PROCESS FOR ITS PRODUCTION IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1988-12-28 EP disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed