SCHEMBL11260856

SCHEMBL11260856

CCN(C(=O)CNCC(=O)O)c1nc2cc3nc(N(CC)C(=O)CNCC(=O)O)sc3cc2s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
HTR2C P28335 1/20 0.38
KMT2A Q03164 6/20 0.38
RAD52 P43351 1/20 0.37
MEN1 O00255 3/20 0.37
TMPRSS15 P98073 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4502145 0.80 HTR2C (0.41) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL4501912 0.79 KMT2A (0.43) HTR2CKMT2AMEN1LMNANPSR1
SCHEMBL11256191 0.69 HDAC6 (0.38) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL4498347 0.68 WNT3A (0.40) HTR2CKMT2ARAD52MEN1LMNA
SCHEMBL4503387 0.67 ALDH1A1 (0.47) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL11256677 0.67 HTR2C (0.42) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL4512266 0.66 NPC1 (0.45) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL11255763 0.66 HTR2C (0.41) HDAC6HTR2CKMT2ARAD52MEN1
SCHEMBL11732339 0.66 ABL1 (0.56) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL4488488 0.65 HDAC6 (0.50) HDAC6NPC1RAB9ACA1CA2

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed