SCHEMBL7602471

SCHEMBL7602471

CC(=O)Nc1oc(C(F)(F)F)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
KDR P35968 7/20 0.45
KDM4E B2RXH2 3/20 0.43
ABL1 P00519 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
STAT3 P40763 2/20 0.42
STAT1 P42224 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1I2 O75469 1/20 0.39

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
SCHEMBL8887445 0.88 ADORA3 (0.49) KDRADORA3STAT3STAT1FLT1
SCHEMBL8886688 0.87 KDR (0.45) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL7601915 0.86 STAT3 (0.41) MEN1KMT2AKDRKDM4ESTAT3
SCHEMBL8885188 0.81 KMT2A (0.46) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL8887522 0.75 KDM4E (0.47) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL15598639 0.75 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL5310221 0.71 KDM4E (0.43) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL27850006 0.71 KDM4E (0.38) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL7739087 0.69 KDR (0.69) NPC1RAB9ASMN1; SMN2LMNAKDR
SCHEMBL21332119 0.68 DHODH (0.46) NPC1RAB9ASMN1; SMN2LMNAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713868-B1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates BASF AG (DE) 2002-01-16 EP claimed
US-5631379-A CYCLIZATION REACTION OF PERFLUOROALKANOYLAMINO NITRILE WITH ACYL HALIDE AMERICAN CYANAMID COMPANY (US) 1997-05-20 US claimed
EP-0713868-A1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates American Cyanamid Company (US) 1996-05-29 EP claimed
EP-0713868-B1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates BASF AG (DE) 2002-01-16 EP disclosed
US-5631379-A CYCLIZATION REACTION OF PERFLUOROALKANOYLAMINO NITRILE WITH ACYL HALIDE AMERICAN CYANAMID COMPANY (US) 1997-05-20 US disclosed
US-5574175-A Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates AMERICAN CYANAMID CO. (US) 1996-11-12 US disclosed
EP-0713868-A1 Process for the manufacture of insecticidal arylpyrroles via oxazole amine intermediates American Cyanamid Company (US) 1996-05-29 EP disclosed
US-5446170-A Reacting oxazole amine intermediate with halonitrile in presence of base AMERICAN CYANAMID COMPANY (US) 1995-08-29 US disclosed