SCHEMBL9633353

SCHEMBL9633353

Nc1ccc(Oc2cc(NC(=O)CF)ccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GRM4 Q14833 2/20 0.42
▸ P2RX4 Q99571 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CDK8 P49336 1/20 0.39
▸ ESRRA P11474 1/20 0.39

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
SCHEMBL9631086 0.88 STK39 (0.48) PNLIPMAPTGRM4FNTAFNTB
SCHEMBL9632353 0.83 MEN1 (0.54) ALDH1A1MAPTNPSR1FNTAFNTB
SCHEMBL9427381 0.76 NPC1 (0.64) ALDH1A1MAPTALOX15NPSR1HSD17B10
SCHEMBL27616186 0.75 MAPT (0.59) ALDH1A1MAPTALOX15HSD17B10NPC1
SCHEMBL27955138 0.72 FFAR1 (0.59) PNLIPMAPTFNTAFNTBMEN1
SCHEMBL9633422 0.71 CYP3A4 (0.51) ALDH1A1MAPTALOX15NPSR1HSD17B10
SCHEMBL10347962 0.71 TSHR (0.55) MAPTNPSR1CYP3A4NPC1RAB9A
Isobutane SCHEMBL9369767 0.71 GSTO1 (0.44) ALDH1A1GRM4CYP3A4NPC1MEN1
SCHEMBL7187813 0.70 MAOA (0.57) ALDH1A1MAPTCYP3A4NPC1RAB9A
SCHEMBL9369763 0.70 TSHR (0.45) ALDH1A1MAPTALOX15NPSR1HSD17B10

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
US-5084085-A Plant growth regulators FMC CORPORATION (US) 1992-01-28 — — US disclosed
US-4885025-A A PHENOXY-,-AMINO-,-ALKYLAMINO- OR -SULFIDO-SUBSTITUTED PHENYL ON THE NUMBER 1 RING NITROGEN FMC CORPORATION (US) 1989-12-05 — — US disclosed
EP-0322413-A4 HERBICIDES. FMC CORP (US) 1989-10-04 — — EP disclosed
EP-0322413-A1 HERBICIDES FMC Corporation (US) 1989-07-05 — — EP disclosed
US-4816065-A ARYLTETRAHYDROPHTHALIMIDES FMC CORPORATION (US) 1989-03-28 — — US disclosed
WO-1988001133-A1 HERBICIDES FMC CORPORATION (US) 1988-02-25 — — WO disclosed
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