SCHEMBL11218804

SCHEMBL11218804

C#Cc1ccc(N2C(=O)c3cccc(Oc4cccc(C#C)c4)c3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ HSPA1A P0DMV8 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL11216136 0.92 ALDH1A1 (0.54) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11211251 0.90 HPGD (0.59) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11213207 0.88 ALDH1A1 (0.58) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11206464 0.84 BRD4 (0.38) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL22580621 0.84 ALDH1A1 (0.54) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11206466 0.83 KMT2A (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11696190 0.77 HPGD (0.67) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11204754 0.76 KMT2A (0.38) HPGDALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL11204757 0.74 KMT2A (0.44) HPGDKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11210954 0.74 KMT2A (0.40) HPGDKDM4EALDH1A1KMT2ABRD4

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-4417039-A Cis-enyne aromatic and aromatic heterocyclic polymers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-11-22 — — US disclosed
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