SCHEMBL7476794

SCHEMBL7476794

Nc1nccn1-c1cc(C(F)(F)F)ccc1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ LTC4S Q16873 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CETP P11597 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL7470913 0.91 HTT (0.41) HSD17B10HTTHPGDKDM4EALDH1A1
SCHEMBL7473148 0.84 MAPK14 (0.44) ALDH1A1MAPTLMNATSHRNPC1
SCHEMBL7480550 0.84 KDM4E (0.35) HSD17B10HTTHPGDKDM4EALDH1A1
SCHEMBL7468981 0.83 CYP11B1 (0.41) HSD17B10HTTHPGDALDH1A1LTC4S
SCHEMBL7474779 0.82 ALDH1A1 (0.45) HTTALDH1A1SRD5A2MAPTLMNA
SCHEMBL7479307 0.81 GLA (0.39) HPGDKDM4EALDH1A1GLALTC4S
SCHEMBL7475152 0.81 MAPK14 (0.44) HSD17B10HTTHPGDKDM4EALDH1A1
SCHEMBL7470675 0.81 HTT (0.41) HSD17B10HTTHPGDALDH1A1GLA
SCHEMBL7471841 0.77 MAPK14 (0.44) HTTALDH1A1MAPTLMNANPC1
SCHEMBL7476225 0.76 CYP11B1 (0.41) HSD17B10HTTMAPTLMNATSHR

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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