SCHEMBL9837439

SCHEMBL9837439

Cc1cccc(C2=C3C(=O)N(C)C(c4cccc(C)c4)=C3C(=O)N2C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
FYN P06241 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
TGFBR1 P36897 1/20 0.40
PGR P06401 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
TDP2 O95551 1/20 0.38
MAPK14 Q16539 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL14479768 0.84 NR1H2 (0.37) PGRKMT2A
SCHEMBL9834685 0.80 PGR (0.51) TGFBR1PGRMAPTKMT2A
SCHEMBL14620062 0.78 COMT (0.40) RAB9AMAPTKMT2AHSP90AA1MGLL
SCHEMBL5070001 0.78 NR1H2 (0.52) MAPTMGLL
SCHEMBL9836026 0.78 PTGS2 (0.50) RAB9AACHEMAPTKMT2AMGLL
SCHEMBL12725181 0.76 NR1H2 (0.50) MAPTMGLL
SCHEMBL12725183 0.76 PTGS2 (0.49) ACHEMAPTKMT2AMGLL
SCHEMBL9836649 0.76 PGR (0.46) CLK4TGFBR1PGR
SCHEMBL14620069 0.74 NR1H2 (0.45) MAPT
SCHEMBL8439734 0.71 L3MBTL1 (0.39) ACHENOTUMKMT2ATDP2HSP90AA1

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