SCHEMBL9509813

SCHEMBL9509813

COC(=O)Cc1cc2c(cc1Cl)Sc1cc(CC(=O)OC)c(Cl)cc1S2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
LMNA P02545 2/20 0.40
PGK1 P00558 1/20 0.40
KAT2B Q92831 2/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
EGFR P00533 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5487981 0.82 LMNA (0.53) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL2126605 0.77 HSP90AB1 (0.46) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL17466154 0.77 CA12 (0.46) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL16068887 0.76 LMNA (0.51) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL7133160 0.74 MAPT (0.49) HSP90AB1LMNAALDH1A1GAAKDM4E
SCHEMBL837451 0.74 ALDH1A1 (0.56) ALDH1A1GAAKDM4ETP53POLB
SCHEMBL7714633 0.73 ALDH1A1 (0.43) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL8261931 0.73 PDGFRB (0.43) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL5485173 0.73 PDGFRB (0.43) HSP90AB1LMNAPGK1ALDH1A1GAA
SCHEMBL31701357 0.73 PDGFRB (0.43) HSP90AB1LMNAPGK1ALDH1A1GAA

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-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed