SCHEMBL8551557

SCHEMBL8551557

Cc1ccc(-c2cnc(-c3ccccc3C(F)(F)F)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
STAT1 P42224 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.48
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN6 P29350 1/20 0.43
NOTUM Q6P988 2/20 0.43

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
SCHEMBL272773 0.85 RAB9A (0.73) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL10910387 0.76 RAB9A (0.61) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL5562081 0.76 ALOX15 (0.82) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL4883303 0.76 ALOX15 (0.82) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL30366154 0.75 RAB9A (0.56) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL29286036 0.75 RAB9A (0.56) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL14947177 0.75 RAB9A (0.83) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL1047574 0.75 HSD11B1 (0.52) ALDH1A1TSHRHSD11B1CYP3A4CYP2D6
SCHEMBL14585759 0.75 RAB9A (0.83) RAB9ANPC1KMT2AGAAALDH1A1
SCHEMBL17122220 0.73 RAB9A (0.80) RAB9ANPC1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed