SCHEMBL8991432

SCHEMBL8991432

CC(=O)NC[C@H]1CN(c2ccc3nc(C=Cc4ccc(Cl)cc4)sc3c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
MAOB P27338 2/20 0.47
ABCB11 O95342 1/20 0.47
F10 P00742 8/20 0.47
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL8991492 0.87 MAOA (0.54) MAOAMAOBABCB11F10LMNA
Hydrochloric Acid SCHEMBL8991424 0.85 GRM2 (0.39) F10
SCHEMBL8991259 0.82 KAT8 (0.39) F10
SCHEMBL8124035 0.81 MAOA (0.55) MAOAMAOBABCB11F10LMNA
SCHEMBL8991351 0.81 MAOA (0.54) MAOAMAOBABCB11F10LMNA
SCHEMBL8115548 0.79 MAOA (0.55) MAOAMAOBABCB11F10LMNA
SCHEMBL8991376 0.78 MAOA (0.52) MAOAMAOBABCB11F10LMNA
SCHEMBL8991481 0.78 MAOA (0.51) MAOAMAOBABCB11F10LMNA
SCHEMBL8129288 0.75 MAOA (0.56) MAOAMAOBABCB11F10LMNA
SCHEMBL7840655 0.74 MAPT (0.54) MAOAMAOBF10LMNAPTGS1

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
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed