SCHEMBL8991395

SCHEMBL8991395

CCCC(=O)OC[C@H]1CN(c2ccc3nc(SCc4ccccc4)sc3c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 6/20 0.43
GRM2 Q14416 2/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PPM1A P35813 1/20 0.38
PTPN9 P43378 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38

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
SCHEMBL8991279 0.84 MAPT (0.50) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL7840655 0.82 MAPT (0.54) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL8991410 0.78 MAPT (0.47) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL8595324 0.71 GRM2 (0.62) GRM2
SCHEMBL8991274 0.71 MAOA (0.51) MAPTTP53ALDH1A1HPGDNPC1
SCHEMBL8595322 0.71 GRM2 (0.62) GRM2
SCHEMBL4103170 0.71 MAOB (0.42) GRM2
SCHEMBL8303678 0.71 MAPT (0.47) MAPTALDH1A1LMNAGRM2GAA
SCHEMBL8991488 0.70 PKM (0.41) MAPTALDH1A1HPGDLMNAGRM2
SCHEMBL8701054 0.70 GRM5 (0.42) MAPTALDH1A1GRM2

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