SCHEMBL8550534

SCHEMBL8550534

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 5/20 0.42
RECQL P46063 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
FFAR1 O14842 6/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
USP25 Q9UHP3 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
Bromide SCHEMBL8554165 0.89 KMT2A (0.42) KMT2AMEN1L3MBTL1RAB9ARECQL
SCHEMBL8554053 0.83 MAPT (0.51) KMT2AMEN1L3MBTL1RAB9ARECQL
Bromide SCHEMBL8554224 0.82 MAPT (0.50) KMT2AMEN1L3MBTL1RAB9ARECQL
Hydrochloric Acid SCHEMBL8592052 0.82 MAPT (0.50) KMT2AMEN1L3MBTL1RAB9ARECQL
Bromide SCHEMBL8553025 0.78 MAPT (0.49) KMT2AMEN1L3MBTL1RAB9ANPC1
Hydrochloric Acid SCHEMBL8593690 0.74 CXCR1 (0.44) KMT2AMEN1L3MBTL1RAB9AMAPT
SCHEMBL8551232 0.73 LMNA (0.39) ALDH1A1
SCHEMBL8551225 0.73 LMNA (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL9409632 0.73 NR1H4 (0.56) NR1H4
Hydrochloric Acid SCHEMBL9409611 0.73 NR1H4 (0.56) NR1H4

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 disclosed
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 disclosed