SCHEMBL9873806

SCHEMBL9873806

CC1=NN(c2ccccc2)C(=O)C1=C(C#N)C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.68
MAPT P10636 8/20 0.68
MEN1 O00255 6/20 0.68
ALDH1A1 P00352 5/20 0.68
GAA P10253 4/20 0.68
KDM4E B2RXH2 5/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPK1 P28482 7/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
KAT8 Q9H7Z6 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
OPRK1 P41145 1/20 0.42
RECQL P46063 1/20 0.42
MMP14 P50281 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
SCHEMBL9875455 0.89 MEN1 (0.53) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL9874093 0.82 ALDH1A1 (0.48) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL419811 0.81 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL14194451 0.81 KMT2A (0.81) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL9875557 0.81 MAPT (0.48) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL14197581 0.77 KMT2A (0.69) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6731372 0.77 KMT2A (0.64) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL14862034 0.75 AGER (0.43) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL18025778 0.75 MAPT (0.66) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL12291974 0.73 MAPT (0.64) KMT2AMAPTMEN1ALDH1A1GAA

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
US-4997805-A Heat sensitive recording material containing chromogenic dicyanomethylenepyrazolinones CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4950754-A Chromogenic dicyanomethylenepyrazolinones CIBA-GEIGY CORPORATION (US) 1990-08-21 US disclosed
US-4916234-A PYRAZOLONE DYES, THERMOGRAPHY CIBA-GEIGY CORPORATION (US) 1990-04-10 US disclosed