SCHEMBL23958719

SCHEMBL23958719

C=C(F)/C(=N\C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
METTL3 Q86U44 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
SCHEMBL23904827 0.83 CES2 (0.38) CES2CES1NOS3NOS1MAOA
SCHEMBL23958937 0.82 CES2 (0.37) CES2CES1NOS3NOS1MAOA
SCHEMBL23958880 0.80 CES2 (0.45) CES2CES1MAOAMAOBSMN1; SMN2
SCHEMBL23904804 0.79 MAOA (0.38) CES2CES1NOS3NOS1MAOA
SCHEMBL23959002 0.79 CES2 (0.44) CES2CES1NOS3NOS1
SCHEMBL17081962 0.69 CES2 (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL208701 0.69 CES2 (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL23837607 0.69 SMN1; SMN2 (0.55) CES2CES1NOS3NOS1LMNA
SCHEMBL7937999 0.69 SMN1; SMN2 (0.55) CES2CES1NOS3NOS1LMNA
SCHEMBL23905839 0.68 MAPT (0.35) CES2CES1NOS3NOS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed