SCHEMBL19733285

SCHEMBL19733285

Cc1ccc2oc(C(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 9/20 0.53
KDM4E B2RXH2 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
ALDH1A1 P00352 8/20 0.53
HPGD P15428 7/20 0.53
HSD17B10 Q99714 6/20 0.53
TP53 P04637 4/20 0.53
CASP3 P42574 3/20 0.50
SENP7 Q9BQF6 3/20 0.50
SENP6 Q9GZR1 3/20 0.50
SENP8 Q96LD8 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 6/20 0.46
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALOX5 P09917 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL10223594 0.84 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL9224448 0.82 RAB9A (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL23403728 0.79 RAB9A (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19733288 0.79 LMNA (0.56) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL26654774 0.78 RAB9A (0.45) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL23432611 0.78 EGFR (0.38) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31457686 0.78 RAB9A (0.45) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10222751 0.78 RAB9A (0.49) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9105844 0.75 NPC1 (0.61) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL903255 0.75 NPC1 (0.61) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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
CN-100465166-C 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2009-03-04 CN claimed
CN-101012204-A 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-08 CN claimed
EP-2817294-B1 PROCESS FOR PRODUCTION OF DFMB DERIVATIVES RHODIA OPERATIONS (FR) 2017-12-27 EP disclosed
CN-100465166-C 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2009-03-04 CN disclosed
CN-100465166-C 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2009-03-04 CN disclosed
CN-101016276-A 5-nitro-2-difluoromethylbenzimidazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-15 CN disclosed
CN-101012204-A 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-08 CN disclosed
CN-101012204-A 5-Methyl-2-difluoromethyl benzoxazole and synthesis method thereof UNIV SHANGHAI (CN) 2007-08-08 CN disclosed