SCHEMBL21262586

SCHEMBL21262586

CBc1cc(Cl)c(C)c(C(=O)NC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ WDR5 P61964 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PLK1 P53350 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ BAZ2B Q9UIF8 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL13890680 0.73 — —
SCHEMBL23823337 0.70 DHODH (0.41) SMN1; SMN2ALDH1A1HPGDCASP1WDR5
SCHEMBL10126900 0.68 TAS1R3 (0.54) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL24458105 0.68 EZH2 (0.43) SMN1; SMN2ALDH1A1CASP1WDR5GAA
SCHEMBL21307918 0.68 BRAF (0.43) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL14401952 0.67 GPR27 (0.44) SMN1; SMN2ALDH1A1HPGDCASP1GAA
SCHEMBL12900908 0.65 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDGAARAB9A
SCHEMBL7706279 0.65 HPGD (0.59) SMN1; SMN2ALDH1A1HPGDGAARAB9A
SCHEMBL20900607 0.64 GAA (0.50) SMN1; SMN2ALDH1A1HPGDCASP1GAA
SCHEMBL1005549 0.63 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 — — WO disclosed
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