SCHEMBL9807522

SCHEMBL9807522

O=S(=O)(O)Cc1ccccc1OC(F)(F)C(F)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 3/20 0.34
CCR8 P51685 1/20 0.34
CXCL8 P10145 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
GRIN2B Q13224 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL9807492 0.87 POLB (0.35) LMNAPOLBKCNH2CCR8CXCL8
SCHEMBL9807509 0.86 CA1 (0.35) LMNAPOLBKCNH2CCR8CXCL8
SCHEMBL2910656 0.82 HDAC3 (0.43) KCNH2HCRTR1HCRTR2GRIN2BHDAC3
SCHEMBL8883642 0.80 HDAC3 (0.42) KCNH2HCRTR1HCRTR2GRIN2BHDAC3
SCHEMBL9807523 0.80 LMNA (0.32) LMNAPOLBKCNH2CCR8
SCHEMBL9807500 0.79 LMNA (0.36) LMNAPOLBKCNH2CCR8TSHR
SCHEMBL7751646 0.76 LMNA (0.42) LMNAPOLBTSHRMAPK1ALDH1A1
SCHEMBL8060708 0.72 CA2 (0.43) LMNAPOLB
SCHEMBL27805477 0.72 CA2 (0.41) LMNAPOLBTSHRMAPK1HPGD
SCHEMBL8088589 0.70 CXCL8 (0.54) KCNH2CCR8CXCL8TSHRMAPK1

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
US-4990637-A Chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4927454-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 US disclosed
US-4806147-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
EP-0271780-A2 Substituted 1-benzylsulfonyl-3-heteroaryl(thio) urea BAYER AG (DE) 1988-06-22 EP disclosed