SCHEMBL10663368

SCHEMBL10663368

CCC(Oc1cc2onc(-c3ccccc3F)c2cc1Br)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ PPARA Q07869 7/20 0.38
▸ PPARG P37231 5/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TACR3 P29371 2/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ PPARD Q03181 1/20 0.34

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
SCHEMBL10734372 0.88 KMO (0.43) MAPTPPARAPPARGSMN1; SMN2
SCHEMBL10661218 0.81 MAPT (0.43) MAPTPPARAPPARGTACR3GABRA5
SCHEMBL10660502 0.80 PKM (0.45) PTPN1NPC1RAB9A
SCHEMBL10663535 0.79 NPC1 (0.48) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL10661841 0.77 MAPT (0.41) MAPTPPARAPPARGTACR3PPARD
SCHEMBL10658293 0.73 PPARA (0.42) MAPTPPARAPPARGFABP4NPSR1
SCHEMBL10660005 0.72 ESR1 (0.52) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10843996 0.72 STK17B (0.40) NPC1RAB9A
SCHEMBL10845047 0.71 FFAR1 (0.37) NPC1RAB9A
SCHEMBL10646952 0.70 HTT (0.41) PPARGNPC1RAB9ATACR3GABRA5

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
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 — — US disclosed
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