SCHEMBL27785893

SCHEMBL27785893

Oc1ccccc1-c1nnc(NC(F)(F)F)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ CHUK O15111 2/20 0.40
▸ TXNRD1 Q16881 2/20 0.40
▸ NOX4 Q9NPH5 2/20 0.40
▸ TTR P02766 1/20 0.40
▸ BCHE P06276 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ BACE1 P56817 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
SCHEMBL27785894 0.81 RAB9A (0.50) KDM4EALDH1A1POLBRAB9ANPC1
SCHEMBL9737555 0.77 NPC1 (0.64) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL8514369 0.75 KDM4E (0.53) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL1347655 0.74 KDR (0.58) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6449133 0.74 KDM4E (0.66) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6449885 0.71 KDM4E (0.58) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL6450028 0.69 RAB9A (0.69) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL10835670 0.69 RAB9A (0.55) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL2800972 0.69 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10CYP1A2POLB
SCHEMBL5453348 0.68 RAB9A (0.67) KDM4EALDH1A1HSD17B10CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224493-A Novel oxadiazole derivatives and thiadiazole derivatives having neovascularization inhibitory activity SANTEN PHARMACEUTICAL CO LTD 2013-07-31 — — CN disclosed
CN-101600712-A Novel oxadiazole derivative and thiadiazole derivative having angiogenesis inhibitory activity SANTEN PHARMACEUTICAL CO LTD (JP) 2009-12-09 — — CN disclosed
Send feedback