SCHEMBL11255745

SCHEMBL11255745

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 9/20 0.39
MEN1 O00255 6/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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 0.85 HTR2C (0.41) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4501912 0.84 KMT2A (0.43) HTR2CKMT2AMEN1NPSR1LMNA
SCHEMBL11260856 0.80 HDAC6 (0.43) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11255499 0.78 HDAC6 (0.37) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11265250 0.74 CA12 (0.37) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11256191 0.73 HDAC6 (0.38) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4498347 0.72 WNT3A (0.40) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11256894 0.72 KMT2A (0.37) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4503387 0.72 ALDH1A1 (0.47) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11256677 0.72 HTR2C (0.42) HTR2CRAD52KMT2AMEN1NPC1

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