SCHEMBL9190037

SCHEMBL9190037

O=C(O)c1cc(OCCS(=O)(=O)c2ccccn2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.43
SLC7A11 Q9UPY5 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
USP2 O75604 1/20 0.40
SLCO2B1 O94956 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 1/20 0.40
ABCB1 P08183 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
TBXAS1 P24557 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9187143 0.91 MAOB (0.42) MCL1MAPTHPGD
SCHEMBL9192260 0.84 MCL1 (0.49) MCL1ALDH1A1MEN1HPGDKMT2A
SCHEMBL9304483 0.80 MCL1 (0.52) MCL1ALDH1A1HPGDBCL2A1HNF4A
SCHEMBL9189770 0.80 MMP1 (0.50) MCL1ALDH1A1MEN1CA1CA2
SCHEMBL9187123 0.79 MCL1 (0.44) MCL1ALDH1A1MEN1LMNAMAPT
SCHEMBL9189588 0.79 ALDH1A1 (0.54) MCL1ALDH1A1MEN1HPGDKMT2A
SCHEMBL9189658 0.79 MCL1 (0.43) MCL1ALDH1A1CA1CA2LMNA
SCHEMBL9190438 0.78 MCL1 (0.50) MCL1BCL2A1PTPN11HNF4AACMSD
SCHEMBL9190023 0.78 POLB (0.46) MCL1ALDH1A1MEN1CA1CA2
SCHEMBL9188725 0.78 HNF4A (0.56) MCL1ALDH1A1MEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403833-B1 Recording material NEW OJI PAPER CO LTD (JP) 1995-09-27 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5094999-A Salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-10 US disclosed