SCHEMBL11256191

SCHEMBL11256191

CCC(=O)N(c1nc2cc3nc(N(C(=O)CC)N(CC)CC)sc3cc2s1)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
HTR2C P28335 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 9/20 0.35
MEN1 O00255 6/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL11256677 0.87 HTR2C (0.42) HDAC6HTR2CNPC1RAB9AALDH1A1
SCHEMBL11259076 0.80 SMN1; SMN2 (0.41) HTR2CNPC1RAB9AALDH1A1TP53
SCHEMBL11264141 0.75 HTR2C (0.43) HDAC6HTR2CNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL11255073 0.74 RAD52 (0.44) HDAC6HTR2CNPC1RAB9AALDH1A1
SCHEMBL4502145 0.73 HTR2C (0.41) HDAC6HTR2CNPC1RAB9ARAD52
SCHEMBL11255674 0.73 CASP2 (0.49) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL11260549 0.73 HTR2C (0.36) HDAC6HTR2CNPC1RAB9AMAPT
SCHEMBL4498347 0.72 WNT3A (0.40) HTR2CNPC1RAB9AALDH1A1TP53
SCHEMBL4503387 0.72 ALDH1A1 (0.47) HDAC6HTR2CNPC1RAB9AALDH1A1
SCHEMBL11254540 0.72 HTR2C (0.45) HDAC6HTR2CNPC1RAB9AALDH1A1

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