SCHEMBL9044273

SCHEMBL9044273

CSc1nc2ccc(N3C[C@H](CN)OC3=O)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
F10 P00742 1/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CREBBP Q92793 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39

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
Hydrochloric Acid SCHEMBL8991509 0.99 KEAP1 (0.46) KEAP1F10PKMMEN1RAB9A
SCHEMBL8991274 0.89 MAOA (0.51) KEAP1PKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL8991488 0.84 PKM (0.41) KEAP1PKMMEN1RAB9AKMT2A
SCHEMBL8115548 0.84 MAOA (0.55) F10LMNA
SCHEMBL8115545 0.79 KEAP1 (0.43) KEAP1PKMMEN1RAB9AKMT2A
SCHEMBL9043250 0.75 GRM2 (0.39) F10MEN1KMT2ANPSR1MAPT
Hydrochloric Acid SCHEMBL8991424 0.75 GRM2 (0.39) F10MEN1KMT2ANPSR1MAPT
SCHEMBL8991279 0.74 MAPT (0.50) MEN1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL79733 0.73 F10 (0.50) F10
Hydrochloric Acid SCHEMBL8124261 0.73 F10 (0.49) F10

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
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed