SCHEMBL9808044

SCHEMBL9808044

O=C(NCCCSc1ccc(O)c(Cl)c1)C(=O)NCCCSc1ccc(O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
CNR2 P34972 1/20 0.40
TEAD1 P28347 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CDK1 P06493 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL9808195 0.87 HTT (0.52) TDP1HSP90AA1RXFP1CA2CA1
SCHEMBL9808079 0.87 HPGD (0.51) TDP1HSP90AA1RXFP1CA2CA1
SCHEMBL9808172 0.82 TDP1 (0.45) TDP1HSP90AA1RXFP1CNR2MEN1
SCHEMBL9750096 0.81 THRB (0.45) TDP1CA2CA1MEN1RAB9A
SCHEMBL9808307 0.78 HTT (0.53) TDP1CA2CA1TEAD1YAP1
SCHEMBL8387623 0.78 TRPV1 (0.53) TDP1HSP90AA1RXFP1CNR2MEN1
SCHEMBL9808178 0.78 HSP90AA1 (0.45) TDP1HSP90AA1RXFP1CA2TEAD1
SCHEMBL9554829 0.75 CA2 (0.50) TDP1CA2CA1THRBKDM4E
SCHEMBL9808197 0.75 MAPT (0.38) TDP1HSP90AA1CA2CA1TEAD1
SCHEMBL9808068 0.74 TDP1 (0.38) TDP1CA2MEN1RAB9AKMT2A

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed