SCHEMBL7744033

SCHEMBL7744033

Cc1c(C(N)=O)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.56
CYP19A1 P11511 1/20 0.53
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FOLH1 Q04609 1/20 0.52
PLA2G2A P14555 4/20 0.52
P2RX4 Q99571 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
PTGES2 Q9H7Z7 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL17625299 0.88 FOLH1 (0.62) F10CYP19A1KDM4EL3MBTL1FOLH1
SCHEMBL27490001 0.85 P2RX4 (0.66) F10KDM4EPLA2G2AP2RX4SMN1; SMN2
SCHEMBL17625298 0.82 F10 (0.58) F10KDM4EFOLH1PLA2G2ASMN1; SMN2
SCHEMBL27361848 0.81 EDNRB (0.54) CYP19A1KDM4EFOLH1PLA2G2AP2RX4
SCHEMBL12803744 0.80 ALDH1A1 (0.68) KDM4EFOLH1P2RX4MEN1KMT2A
SCHEMBL29015820 0.79 FOLH1 (0.49) F10CYP19A1KDM4EFOLH1PLA2G2A
SCHEMBL25437053 0.78 NPC1 (0.56) KDM4EALDH1A1
SCHEMBL23422201 0.78 P2RX4 (0.56) KDM4EP2RX4SMN1; SMN2MEN1KMT2A
SCHEMBL28208613 0.78 TSHR (0.51) F10KDM4EL3MBTL1SMN1; SMN2KMT2A
SCHEMBL27505541 0.78 F10 (0.54) F10KDM4EL3MBTL1PLA2G2AP2RX4

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
EP-1018878-A4 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SMITHKLINE BEECHAM CORP (US) 2001-01-10 EP disclosed
EP-1018878-A1 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
WO-1998041092-A1 NOVEL INDOLECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODSOF INHIBITING CALPAIN SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO disclosed