SCHEMBL7470675

SCHEMBL7470675

Nc1nccn1-c1c(F)cc(C(F)(F)F)cc1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK14 Q16539 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TNK2 Q07912 2/20 0.37
▸ F2 P00734 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ SRD5A2 P31213 1/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ LTC4S Q16873 1/20 0.34

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
SCHEMBL7465790 0.92 VNN1 (0.35) HTTHSD17B10MAPK14SRD5A2
SCHEMBL7479804 0.83 GLA (0.38) GLAHPGDCNR2CNR1F2
SCHEMBL7470913 0.83 HTT (0.41) HTTHSD17B10GLAHPGDMAPT
SCHEMBL7475914 0.82 MAPK14 (0.41) HTTHSD17B10GLAHPGDMAPK14
SCHEMBL7468553 0.81 MAPK14 (0.45) HTTHSD17B10GLAMAPK14MAPT
SCHEMBL7476794 0.81 HSD17B10 (0.41) HTTHSD17B10GLAHPGDMAPT
SCHEMBL7463562 0.78 NR1H2 (0.47) HTTHSD17B10GLAHPGDMAPT
SCHEMBL7475152 0.77 MAPK14 (0.44) HTTHSD17B10HPGDMAPK14MAPT
SCHEMBL7478826 0.75 VNN1 (0.35) MAPTLMNAP2RX1
SCHEMBL7473148 0.74 MAPK14 (0.44) MAPK14MAPTLMNATSHRTNK2

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-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
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