SCHEMBL11255522

SCHEMBL11255522

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ALOX15 P16050 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DYRK1A Q13627 4/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ LDHA P00338 1/20 0.32

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
SCHEMBL11255763 0.79 HTR2C (0.41) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11256909 0.78 ALDH1A1 (0.39) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11270188 0.77 ALDH1A1 (0.41) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11261226 0.76 RAB9A (0.40) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11253928 0.75 HTR2C (0.40) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11254540 0.72 HTR2C (0.45) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11255635 0.67 HTR2C (0.41) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11264141 0.67 HTR2C (0.43) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11255499 0.67 HDAC6 (0.37) HTR2CRAD52NPC1RAB9AMAPT
SCHEMBL11270915 0.66 HTR2C (0.40) HTR2CRAD52NPC1RAB9AMAPT

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
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