SCHEMBL38657481

SCHEMBL38657481

FC(F)(F)c1cccc(-c2ncc(-c3ccccc3)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
MITF O75030 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
NOTUM Q6P988 2/20 0.50
SCN2A Q99250 2/20 0.50
ATR Q13535 1/20 0.48
PTPN1 P18031 4/20 0.48
PTPN2 P17706 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL18120005 0.85 ALOX15 (0.60) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL29231802 0.84 ALOX15 (0.74) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL12171873 0.84 MEN1 (0.51) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL18280244 0.84 ALOX15 (0.78) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL12171593 0.82 NPC1 (0.54) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL11387632 0.81 KMT2A (0.59) RAB9ANPC1KDM4EALDH1A1MEN1
SCHEMBL2431683 0.80 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1NOTUM
SCHEMBL12171821 0.79 RAB9A (0.51) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL18120006 0.79 ALOX15 (0.60) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL74359 0.78 ALOX15 (0.96) ALOX15TSHRCASP1RAB9ANPC1

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
CN-122011039-A Large-steric-hindrance triazole carbene monodentate palladium compound containing surplus N, N chelating ligand, and preparation method and application thereof 江苏科技大学 2026-05-12 CN disclosed