SCHEMBL9835833

SCHEMBL9835833

N#CCN1C(=O)C2=C(c3ccccc3)N(CC#N)C(=O)C2=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LCK P06239 1/20 0.35
CNR2 P34972 1/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL9836013 0.84 LMNA (0.39) LMNACA12CA9NR1H2NR1H3
SCHEMBL7489174 0.76 NR1H2 (0.40) LMNACA12CA9NR1H2NR1H3
SCHEMBL9835835 0.76 NR1H2 (0.56) LMNANR1H2NR1H3KMT2AKDM4E
SCHEMBL5073360 0.74 NR1H2 (0.57) NR1H2NR1H3KMT2AMEN1NPSR1
SCHEMBL10757746 0.71 CASP3 (0.53) LMNACA12CA9NR1H2NR1H3
SCHEMBL7500087 0.71 LMNA (0.43) LMNANR1H2NR1H3KDM4EPOLB
SCHEMBL1357288 0.71 CA12 (0.51) CA12CA9
SCHEMBL29842458 0.71 CA12 (0.51) CA12CA9
SCHEMBL7496165 0.70 KDM4E (0.53) LMNANR1H2NR1H3KDM4EMAPT
SCHEMBL9836829 0.70 NPC1 (0.49) CA12CA9NR1H2NR1H3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133156-B1 1,4-DIKETOPYRROLO-(3,4-C) PYRROLES CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4666455-A Compositions pigmented with N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1987-05-19 US disclosed
US-4585878-A N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed
EP-0133156-A2 1,4-Diketopyrrolo-(3,4-c) pyrroles CIBA-GEIGY AG (CH) 1985-02-13 EP disclosed