SCHEMBL18448955

SCHEMBL18448955

Nc1ccc(-c2nccnc2NCCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ APP P05067 2/20 0.46
▸ AURKA O14965 1/20 0.46
▸ GBA1 P04062 1/20 0.46
▸ UTS2R Q9UKP6 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NUDT1 P36639 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18448734 0.85 MAPK1 (0.48) HIF1ARAB9AAPPAURKAUTS2R
SCHEMBL3953540 0.79 APP (0.53) MAPTNPC1RAB9AAPPUTS2R
SCHEMBL18448289 0.72 NPC1 (0.55) NPC1RAB9AMAOAMAOBSMN1; SMN2
SCHEMBL18449482 0.72 APP (0.53) MAPTNPC1RAB9AAPPUTS2R
SCHEMBL18449598 0.72 CYP3A4 (0.61) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL9579916 0.71 L3MBTL1 (0.70) MAPTNPC1RAB9AAPPLMNA
SCHEMBL28238899 0.70 FYN (0.51) HIF1AAPPAURKAMAPK1EGFR
SCHEMBL23202907 0.70 GBA1 (0.41) MAPTNPC1RAB9AAPPAURKA
SCHEMBL30827843 0.70 GBA1 (0.41) MAPTNPC1RAB9AAPPAURKA
SCHEMBL18447771 0.69 EGFR (0.47) AURKAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 — — EP disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 — — WO disclosed
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