SCHEMBL7470913

SCHEMBL7470913

Nc1nccn1-c1ccc(C(F)(F)F)cc1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ F12 P00748 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ LTC4S Q16873 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
SCHEMBL7476794 0.91 HSD17B10 (0.41) HTTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL7471841 0.84 MAPK14 (0.44) HTTALDH1A1LMNAMAPTPOLB
SCHEMBL11813166 0.84 PDE4A (0.42) ALDH1A1KDM4EHPGDGLASRD5A2
SCHEMBL7476225 0.83 CYP11B1 (0.41) HTTHSD17B10LMNAMAPTTSHR
SCHEMBL7477253 0.83 KDM4E (0.49) HTTHSD17B10ALDH1A1KDM4ESRD5A2
SCHEMBL7470675 0.83 HTT (0.41) HTTHSD17B10ALDH1A1HPGDGLA
SCHEMBL7473758 0.82 ALDH1A1 (0.54) HTTALDH1A1LMNAMAPTPOLB
SCHEMBL7475152 0.81 MAPK14 (0.44) HTTHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL7471112 0.79 ALDH1A1 (0.49) HTTALDH1A1KDM4EHPGDLMNA
SCHEMBL7466640 0.79 LMNA (0.59) HTTALDH1A1KDM4ELMNAMAPT

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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