SCHEMBL11208575

SCHEMBL11208575

Cc1ccc(C)c(C=Cc2nc[nH]c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PARP1 P09874 2/20 0.41
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KA3 P51812 1/20 0.38
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
QPCT Q16769 2/20 0.32

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
SCHEMBL11208607 0.75 TUBB1 (0.41) ALOX5PTGS1PTGS2SMN1; SMN2LMNA
SCHEMBL11209825 0.74 PARP1 (0.38) ALOX5PARP1SMN1; SMN2LMNAPOLB
SCHEMBL11210047 0.71 PARP1 (0.41) ALOX5PARP1POLBMAPTTDP1
SCHEMBL11291271 0.71 NPC1 (0.51) ALOX5PTGS1PTGS2PARP1GAA
SCHEMBL11204477 0.71 MAPT (0.43) HSD17B10SMN1; SMN2LMNAKDM4EMEN1
SCHEMBL11291273 0.71 NPC1 (0.51) ALOX5PTGS1PTGS2PARP1GAA
SCHEMBL11210833 0.69 TAAR1 (0.55) ALOX5PTGS1PTGS2SMN1; SMN2KDM4E
SCHEMBL11209121 0.69 LMNA (0.42) LMNANPSR1TDP1ALDH1A1
SCHEMBL11790300 0.67 ALOX5 (0.55) ALOX5PTGS1PTGS2GAAHSD17B10
SCHEMBL11790340 0.67 ALOX5 (0.55) ALOX5PTGS1PTGS2GAAHSD17B10

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-0034474-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-01-26 EP disclosed
US-4333947-A HYPOTENSIVE AGENTS, BACTERICIDES, FUNGICIDES FARMOS-YHTYMA OY (FI) 1982-06-08 US disclosed
EP-0034474-A1 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP disclosed