SCHEMBL9208552

SCHEMBL9208552

O=Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.42
RECQL P46063 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL9213953 0.85 GABRB3 (0.43) NPC1RAB9AKMT2ALMNA
SCHEMBL15639626 0.79 POLB (0.49) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL9500826 0.74 ALDH1A1 (0.39) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL9217450 0.74 ALDH1A1 (0.39) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL9768243 0.73 KMT2A (0.46) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL9212684 0.72 GABRB3 (0.40) NPC1RAB9AKMT2ALMNA
SCHEMBL9717689 0.72 GABRB3 (0.40) NPC1RAB9AKMT2ALMNA
SCHEMBL23367252 0.71 P2RX7 (0.40) KDM4EMAPTNPSR1ATM
SCHEMBL9217601 0.70 MAPT (0.32) MAPTRECQLL3MBTL1
SCHEMBL9215564 0.70 MAPK1 (0.36) SMN1; SMN2MEN1KMT2ANPSR1L3MBTL1

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
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed