SCHEMBL8991279

SCHEMBL8991279

O=C1O[C@@H](CO)CN1c1ccc2nc(SCc3ccccc3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 3/20 0.46
CALML3 P27482 4/20 0.45
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GRM2 Q14416 1/20 0.42
ELANE P08246 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL7840655 0.87 MAPT (0.54) MAPTALDH1A1HPGDTP53MAOA
SCHEMBL8991274 0.84 MAOA (0.51) MAPTALDH1A1HPGDTP53MAOA
SCHEMBL8991395 0.84 MAPT (0.45) MAPTALDH1A1HPGDTP53LMNA
SCHEMBL27462935 0.80 MAPT (0.46) MAPTALDH1A1HPGDTP53LMNA
SCHEMBL9044273 0.74 KEAP1 (0.47) MAPTALDH1A1HPGDLMNAMEN1
Hydrochloric Acid SCHEMBL8991509 0.73 KEAP1 (0.46) MAPTALDH1A1HPGDLMNAMEN1
SCHEMBL3505104 0.72 CALML3 (0.46) MAPTMAOAMAOBCALML3GRM2
SCHEMBL3504946 0.72 CALML3 (0.46) MAPTMAOAMAOBCALML3GRM2
SCHEMBL8115548 0.72 MAOA (0.55) MAOAMAOBLMNACALML3
SCHEMBL3504948 0.72 CALML3 (0.46) MAPTMAOAMAOBCALML3GRM2

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
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed