SCHEMBL9181546

SCHEMBL9181546

Nc1ccc2nc(SCCC=C(F)F)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.45
ADRA2C P18825 1/20 0.45
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 5/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
MAPK10 P53779 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
SCHEMBL9186890 0.90 DDAH1 (0.45) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9186860 0.86 DDAH1 (0.43) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9182391 0.86 DDAH1 (0.43) DDAH1ADRA2CRAB9AMAPK1TDP1
SCHEMBL9184518 0.85 MAPT (0.44) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9181930 0.85 TP53 (0.44) DDAH1ADRA2CALDH1A1KMT2AMEN1
SCHEMBL9184408 0.83 DDAH1 (0.41) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9187542 0.81 MAPT (0.42) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9187035 0.81 HPGD (0.46) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL9183582 0.81 DDAH1 (0.39) DDAH1ADRA2CALDH1A1RAB9AKMT2A
SCHEMBL7624296 0.81 DDAH1 (0.60) DDAH1ADRA2CALDH1A1RAB9AKMT2A

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
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed