SCHEMBL8554053

SCHEMBL8554053

Cc1nc(C2CCNCC2)sc1C(=O)Nc1ccc(OCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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 SCHEMBL8592052 0.99 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
Bromide SCHEMBL8554224 0.99 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
Bromide SCHEMBL8553025 0.90 MAPT (0.49) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8593690 0.86 CXCR1 (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
Bromide SCHEMBL8554391 0.85 LMNA (0.48) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8550534 0.83 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL8553387 0.79 POLB (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
Bromide SCHEMBL8554165 0.79 KMT2A (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL9409427 0.74 MEN1 (0.53) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6875704 0.73 MAPT (0.65) MAPTKDM4EKMT2AMEN1ALDH1A1

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
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP claimed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO claimed