SCHEMBL9382944

SCHEMBL9382944

Fc1cccc2c(OCCc3ccc(OCC(F)(F)F)cc3)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AURKA O14965 4/20 0.34
▸ RPS6KB1 P23443 4/20 0.34
▸ MAOB P27338 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ AURKB Q96GD4 2/20 0.33
▸ ELOVL1 Q9BW60 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9469206 0.87 AURKA (0.42) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL9389676 0.86 AURKA (0.41) AURKARPS6KB1MAOBAURKBLTA4H
SCHEMBL8543586 0.86 RAB9A (0.51) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL9388070 0.85 L3MBTL1 (0.36) L3MBTL1CYP1A2CYP2C9CYP2C19AURKA
SCHEMBL8541119 0.85 SMN1; SMN2 (0.44) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8542280 0.84 AURKA (0.47) RAB9ANPC1L3MBTL1CYP1A2CYP2C9
SCHEMBL8547249 0.83 AURKA (0.45) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL13457138 0.83 ELOVL1 (0.34) MAOBELOVL1LTA4HPIK3CDPIK3CA
SCHEMBL9382429 0.83 SMN1; SMN2 (0.43) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8548684 0.82 RAB9A (0.42) RAB9ATSHRNPC1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556375-A4 NEMATICIDAL METHOD DOWELANCO (US) 1994-05-18 — — EP claimed
EP-0556375-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-08-25 — — EP claimed
WO-1993004583-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-03-18 — — WO claimed
EP-0556375-A4 NEMATICIDAL METHOD DOWELANCO (US) 1994-05-18 — — EP disclosed
EP-0556375-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-08-25 — — EP disclosed
US-5227387-A QUINOLINE NEMATICIDAL METHOD DOWELANCO (US) 1993-07-13 — — US disclosed
WO-1993004583-A1 NEMATICIDAL METHOD DOWELANCO (US) 1993-03-18 — — WO disclosed
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