SCHEMBL9034890

SCHEMBL9034890

O=C(c1cccc(Cl)c1)c1cc(F)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
GFER P55789 1/20 0.45
MAOB P27338 1/20 0.44
HCRTR1 O43613 1/20 0.44
RORC P51449 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMD14 O00487 1/20 0.43
MAPK1 P28482 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
GRM2 Q14416 1/20 0.41
VNN1 O95497 1/20 0.41
ADRA2A P08913 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9033666 0.86 KDM4E (0.56) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL9032661 0.81 MEN1 (0.51) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL9033595 0.81 MCHR1 (0.48) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL9033128 0.78 NPC1 (0.50) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL31157024 0.76 KDM4E (0.62) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6586159 0.76 KDM4E (0.62) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3446883 0.74 PARP1 (0.59) ALOX15MEN1KMT2ARAB9ANPC1
SCHEMBL31214767 0.73 NCOA1 (0.59) RAB9ANPC1SMN1; SMN2GRM2KDM4E
SCHEMBL28005852 0.73 NPC1 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL31514279 0.72 ATM (0.71) ALOX15RAB9ANPC1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589484-A TREATMENT OF HELICOBACTER INFECTIONS, ANTIULCER JANSSEN PHARMACEUTICA N.V. (BE) 1996-12-31 US disclosed
EP-0666855-B1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 1996-09-18 EP disclosed
EP-0666855-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY. JANSSEN PHARMACEUTICA NV (BE) 1995-08-16 EP disclosed
WO-1994010164-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1994-05-11 WO disclosed