SCHEMBL9770410

SCHEMBL9770410

Oc1ccc(SCC(O)COc2ccc(Br)cc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
ALOX15 P16050 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL9770529 0.84 BACE1 (0.51) BACE1CA1CA2CA4CA7
SCHEMBL9770415 0.84 BACE1 (0.57) BACE1CA1CA2CA4CA7
SCHEMBL9770369 0.81 BACE1 (0.67) BACE1SMN1; SMN2HPGDMEN1MAPT
SCHEMBL9770511 0.81 BACE1 (0.53) BACE1CA1CA2CA4CA7
SCHEMBL9770396 0.80 BACE1 (0.59) BACE1CA1CA2CA4CA7
SCHEMBL9770148 0.79 BACE1 (0.58) BACE1CA1CA2CA4CA7
SCHEMBL9770409 0.76 CYP1A2 (0.51) BACE1SMN1; SMN2LMNAMEN1MAPT
SCHEMBL9770381 0.76 KMT2A (0.50) BACE1ALOX15SMN1; SMN2LMNAMEN1
SCHEMBL9770533 0.76 BACE1 (0.51) BACE1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9770500 0.75 KMT2A (0.45) BACE1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US claimed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP claimed
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed