SCHEMBL8993439

SCHEMBL8993439

FCc1cccnc1C1=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
PPARA Q07869 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.32
FFAR2 O15552 4/20 0.32
F2RL1 P55085 1/20 0.32
DPP4 P27487 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL8993495 0.84 PIM1 (0.37) PIM1PPARAJAK2JAK1JAK3
SCHEMBL18695385 0.77 PIK3CD (0.38) JAK2
SCHEMBL29438061 0.77 PIK3CD (0.38) JAK2
SCHEMBL13450565 0.75 CYP2A6 (0.43) PIM1PPARAJAK2JAK1JAK3
SCHEMBL5387804 0.75 PIM1 (0.39) PIM1PPARAJAK2JAK1JAK3
SCHEMBL8993437 0.74 F2RL1 (0.40) PIM1PPARACYP1A2GRM5TDP1
SCHEMBL13439540 0.71 F2RL1 (0.40) PIM1PPARAJAK2JAK1JAK3
SCHEMBL5383451 0.71 TRIM24 (0.43) PIM1PPARAJAK2JAK1JAK3
SCHEMBL884496 0.70 KCNA5 (0.55) PIM1PPARATDP1
SCHEMBL3083160 0.70 JAK2 (0.44) PIM1JAK2JAK1JAK3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed