SCHEMBL11053054

SCHEMBL11053054

CCC(CC)C1=Nc2cnc3ccccc3c2N(C(C)=O)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ USP5 P45974 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
Hydrochloric Acid SCHEMBL11052293 0.99 ALDH1A1 (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11038147 0.81 USP5 (0.35) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11037314 0.80 USP5 (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11038211 0.80 PDE4A (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11036595 0.79 USP5 (0.34) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11038010 0.79 TLR7 (0.42) TSHRSMN1; SMN2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL11036638 0.79 PDE4A (0.40) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL11037970 0.79 LMNA (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11249911 0.78 BCHE (0.37) KMT2ABCHE
SCHEMBL11040120 0.78 DUSP10 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038528-B1 DIHYDRO-AS-TRIAZINO(5,6-C)QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-08-08 — — EP disclosed
US-4342766-A SAID COMPOUNDS POSSESS ANTIPHLOGISTIC, ANALGESIC, ANTICONVULSIVE AND TRANQUILIZING PROPERTIES EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-08-03 — — US disclosed
EP-0038528-A1 Dihydro-as-triazino(5,6-c)quinoline derivatives, process for their preparation and pharmaceutical compositions containing these compounds EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-10-28 — — EP disclosed
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