SCHEMBL17895698

SCHEMBL17895698

CCCC(O)(c1nc2ccc(OC(F)(F)F)cc2s1)c1cnccc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ TP53 P04637 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ SCN4A P35499 2/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ GMNN O75496 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ BLM P54132 1/20 0.41

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
SCHEMBL17895648 0.95 DYRK1A (0.38) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL29898500 0.95 DYRK1A (0.38) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL17895696 0.94 NPC1 (0.40) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL17895667 0.90 RAB9A (0.41) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL29898501 0.89 NPC1 (0.40) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL17895632 0.89 NPC1 (0.40) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL17895602 0.89 — —
SCHEMBL17895635 0.88 MAPT (0.39) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL17895567 0.87 CSNK1D (0.37) NPC1RAB9ATP53SCN4ACYP1A2
SCHEMBL17895647 0.87 HCRTR1 (0.38) NPC1RAB9ATP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 — — CN claimed
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 — — EP claimed
WO-2016109492-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP (US) 2016-07-07 — — WO claimed
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 — — CN disclosed
EP-3240778-A1 METHODS AND AGENTS FOR TREATING DISEASE Angion Biomedica Corp. (US) 2017-11-08 — — EP disclosed
WO-2016109492-A1 METHODS AND AGENTS FOR TREATING DISEASE ANGION BIOMEDICA CORP (US) 2016-07-07 — — WO disclosed
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