SCHEMBL8652248

SCHEMBL8652248

CCCCCn1ccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
HTT P42858 5/20 0.49
LMNA P02545 3/20 0.49
APOBEC3A P31941 2/20 0.49
APOBEC3G Q9HC16 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PABPC1 P11940 1/20 0.49
GALR3 O60755 2/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
RAD52 P43351 1/20 0.47
PAX8 Q06710 1/20 0.47
NR2F2 P24468 1/20 0.47

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
SCHEMBL27864924 0.95 DRD2 (0.43) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL27355505 0.87 DRD2 (0.41) NPSR1TSHRDRD2DRD3CYP19A1
SCHEMBL27926693 0.72 NPC1 (0.56) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL28249044 0.72 NPC1 (0.56) NPC1RAB9AHTTLMNAAPOBEC3A
Cyanide SCHEMBL30330547 0.71 NPC1 (0.51) NPC1RAB9AHTTLMNAAPOBEC3A
Cyanide SCHEMBL30330308 0.71 NPC1 (0.51) NPC1RAB9AHTTLMNAAPOBEC3A
Cyanide SCHEMBL30330725 0.71 NPC1 (0.51) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL8645391 0.71 CYP19A1 (0.34) DRD2CYP19A1
SCHEMBL2186511 0.71
SCHEMBL28188544 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707003-B1 Manufacture of 4-aryl-2-perfluoroalkyl-3-oxazolin-5-one from arylglycine AMERICAN CYANAMID CO (US) 1998-07-29 EP disclosed
US-5574175-A Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates AMERICAN CYANAMID CO. (US) 1996-11-12 US disclosed
CN-1133836-A Process for manufacture of insecticidal arylpyrrolwa via oxazole amine intermediates AMERICAN CYANAMID CO (US) 1996-10-23 CN disclosed
EP-0713868-A1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates American Cyanamid Company (US) 1996-05-29 EP disclosed
EP-0707003-A1 Manufacture of 4-aryl-2-perfluoroalkyl-3-oxazolin-5-one from arylglycine American Cyanamid Company (US) 1996-04-17 EP disclosed
US-5453508-A Pesticide intermediate AMERICAN CYANAMID COMPANY (US) 1995-09-26 US disclosed
US-5446170-A Reacting oxazole amine intermediate with halonitrile in presence of base AMERICAN CYANAMID COMPANY (US) 1995-08-29 US disclosed