SCHEMBL10661492

SCHEMBL10661492

COc1ccc2c(-c3ccccc3F)noc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ MAPT P10636 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ GAA P10253 1/20 0.55
▸ TP53 P04637 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL10659748 0.86 ALDH1A1 (0.43) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10661121 0.84 MAPT (0.42) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10734618 0.81 ESR1 (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL13588380 0.81 PIN1 (0.54) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10658733 0.81 NPC1 (0.44) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10730137 0.80 ESR1 (0.40) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10661416 0.78 ALDH1A1 (0.50) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL10663535 0.78 NPC1 (0.48) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL11558270 0.78 ESR1 (0.48) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL6374522 0.78 ESR1 (0.59) NPC1RAB9AMAPTKDM4EALDH1A1

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 4 patents. 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
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 — — US disclosed
EP-0002666-B1 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-17 — — EP disclosed
EP-0002666-A1 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 — — EP disclosed
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