SCHEMBL11204757

SCHEMBL11204757

C#Cc1cccc(Oc2ccc3c4c(cccc24)C(=O)N(c2cccc(C#C)c2)C3=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.44
▸ MEN1 O00255 9/20 0.44
▸ USP2 O75604 7/20 0.44
▸ KEAP1 Q14145 5/20 0.44
▸ NFE2L2 Q16236 5/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40

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
SCHEMBL11209931 0.92 KMT2A (0.44) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL11206466 0.92 KMT2A (0.41) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL11216136 0.82 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL11210959 0.82 KMT2A (0.44) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL11558315 0.82 TYMS (0.42) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL11204754 0.81 KMT2A (0.38) KMT2AMEN1USP2ALDH1A1HTT
SCHEMBL11201186 0.81 BRD4 (0.56) KMT2AMEN1NPC1ALDH1A1HTT
SCHEMBL22627212 0.78 NPC1 (0.53) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL22580621 0.77 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL11200203 0.76 MEN1 (0.62) KMT2AMEN1USP2KEAP1NFE2L2

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 2 patents. 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
US-4380619-A POLYBENZOTHIAZOLES; N-HETEROCYCLIC POLYMERS; SOLUBILITY; HEAT RESISTANCE; AIRCRAFT; AEROSPACE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1983-04-19 — — US disclosed
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