SCHEMBL5498009

SCHEMBL5498009

O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.71
▸ NPC1 O15118 3/20 0.71
▸ NLRP3 Q96P20 1/20 0.67
▸ KCNK3 O14649 4/20 0.63
▸ KCNK9 Q9NPC2 3/20 0.63
▸ MAPT P10636 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ P2RX1 P51575 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ BRAF P15056 2/20 0.58
▸ NAMPT P43490 1/20 0.58
▸ NR1H4 Q96RI1 1/20 0.58
▸ LMNA P02545 1/20 0.57

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
SCHEMBL95289 0.87 NPC1 (0.70) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL12368157 0.86 NPC1 (0.65) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL13202404 0.86 NPC1 (0.62) RAB9ANPC1KCNK3KCNK9MAPT
Hydrochloric Acid SCHEMBL2107074 0.86 NR1H4 (0.63) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL10294107 0.85 RAB9A (0.71) RAB9ANPC1NLRP3KCNK3KCNK9
SCHEMBL2105853 0.85 NPC1 (0.67) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL17531734 0.85 P2RX1 (0.64) RAB9ANPC1KCNK3KCNK9MAPT
SCHEMBL2095975 0.84 ALDH1A1 (0.60) RAB9ANPC1NLRP3MAPTHPGD
SCHEMBL6174665 0.84 KMT2A (0.73) RAB9ANPC1KCNK3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL2105696 0.83 NPC1 (0.69) RAB9ANPC1KCNK9GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 — — CN claimed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 — — CN claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO claimed
CN-115697485-B Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2025-03-14 — — CN disclosed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 — — CN disclosed
EP-1667721-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS Novartis AG (CH) 2006-06-14 — — EP disclosed
WO-2005027973-A2 COMBINATIONS OF A VEGF RECEPTOR INHIBITOR WITH OTHER THERAPEUTIC AGENTS NOVARTIS AG (CH) 2005-03-31 — — WO disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 — — EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 — — WO disclosed
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