SCHEMBL5669747

SCHEMBL5669747

O=C(Nc1ccc(-c2cccc(Cl)c2)c(Cl)c1)c1cccc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 4/20 0.51
▸ DHODH Q02127 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PNLIP P16233 1/20 0.47
▸ P2RX1 P51575 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ NTRK1 P04629 1/20 0.46

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
SCHEMBL5147056 0.85 KDM4E (0.55) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL15778764 0.83 FADS1 (0.64) FADS1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1826092 0.81 IL2 (0.58) FADS1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL27316696 0.79 AVPR2 (0.54) FADS1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6294961 0.75 HTT (0.60) FADS1TP53RAB9AMAPTP2RX1
SCHEMBL15778871 0.74 FADS1 (0.70) FADS1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6132154 0.74 RXFP1 (0.50) P2RX1P2RX4P2RX7PTPRC
SCHEMBL1825721 0.74 ALDH1A1 (0.57) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16363158 0.73 IL2 (0.55) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4010775 0.72 KMT2A (0.66) FADS1SMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 — — EP claimed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 — — EP claimed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO claimed
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