SCHEMBL23958935

SCHEMBL23958935

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL23904715 0.84 MAOA (0.38) MAOAMAOBHTR7LMNAPTBP1
SCHEMBL23958937 0.79 CES2 (0.37) MAOAMAOBLMNAPTBP1SMN1; SMN2
SCHEMBL23905794 0.79 MAOA (0.39) MAOAMAOBHTR7LMNAPTBP1
SCHEMBL18944664 0.73 ATM (0.42) HTR7LMNAPTBP1SMN1; SMN2POLB
SCHEMBL18809492 0.69 LMNA (0.41) MAOAMAOBHTR7LMNAPTBP1
SCHEMBL27468936 0.67 CES2 (0.48) MAOAMAOBCES2CES1PTPN1
SCHEMBL25488741 0.67 HDAC3 (0.37) MAOAMAOBHTR7LMNAPTBP1
SCHEMBL23958873 0.67 CES2 (0.41) MAOAMAOBPOLBCES2CES1
SCHEMBL10413993 0.66 MAOA (0.55) MAOAMAOBHTR7LMNAPTBP1
SCHEMBL23195560 0.66 ATM (0.42) MAOAMAOBLMNASMN1; SMN2GAA

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