SCHEMBL9045796

SCHEMBL9045796

COC(=O)Oc1sc2cc(CBr)ccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DYRK1A Q13627 1/20 0.38
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9045438 0.84 BCL2L1 (0.55) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL2431312 0.79 MAPT (0.52) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL8323119 0.72 MCL1 (0.66) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL8020988 0.72 CYP4F2 (0.54) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL9203348 0.70 MCL1 (0.57) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL19283514 0.69 MCL1 (0.59) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL9204281 0.69 MCL1 (0.56) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL5228832 0.67 BCKDK (0.61) MAPTLMNAALDH1A1KDM4EMAPK1
SCHEMBL13520157 0.67 TRPA1 (0.32) ALDH1A1TSHR
SCHEMBL11468756 0.66 MCL1 (0.55) MAPTLMNAGAAALDH1A1KDM4E

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
EP-0595150-B1 Process for the preparation of aromatic bromomethylcompounds HOECHST AG (DE) 1996-07-31 EP disclosed
EP-0595150-A1 Process for the preparation of aromatic bromomethylcompounds HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-04 EP disclosed