SCHEMBL11523970

SCHEMBL11523970

CCn1c(O)c(N=Nc2ccccc2)c(C)c(C#N)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.66
MEN1 O00255 9/20 0.66
MAPT P10636 9/20 0.66
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.46
PHGDH O43175 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MITF O75030 1/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.43
ALPL P05186 1/20 0.43
ALPG P10696 1/20 0.43
PABPC1 P11940 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL16355193 0.88 MAPT (0.52) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL14132237 0.87 MAPT (0.52) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL9816832 0.87 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL28985487 0.86 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL28985486 0.86 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL10184550 0.85 MAPT (0.65) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL15137876 0.84 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL11525052 0.83 MAPT (0.55) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL23219644 0.82 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL12694051 0.82 MAPT (0.48) KMT2AMEN1MAPTALDH1A1PKM

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-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 US disclosed