SCHEMBL27920183

SCHEMBL27920183

CCCCc1c(C)nn(-c2ccccc2O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
HIF1A Q16665 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
XBP1 P17861 1/20 0.45
HPGD P15428 2/20 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
SCHEMBL27920187 0.86 ALDH1A1 (0.46) CA12CA1CA2CA9NPC1
SCHEMBL16857586 0.82 NPC1 (0.71) CA12CA1CA2CA9NPC1
SCHEMBL16931730 0.79 TSHR (0.71) CA12CA1CA2CA9NPC1
SCHEMBL19675733 0.78 NPC1 (0.66) CA12CA1CA2CA9NPC1
SCHEMBL23401041 0.77 POLB (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL17255699 0.76 HPGD (0.49) NPC1RAB9AALDH1A1LMNAHIF1A
SCHEMBL28102000 0.76 HSD17B10 (0.51) CA12CA1CA2CA9NPC1
SCHEMBL16910807 0.74 CA12 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL17255717 0.74 NPC1 (0.44) NPC1RAB9AALDH1A1HIF1AMAPT
SCHEMBL17255701 0.73 HPGD (0.49) RAB9AALDH1A1HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339112-B Topical antifungal agents MEIJI SEIKA PHARMA CO.,LTD. (JP) 2015-08-12 CN claimed
CN-103339112-A Topical antifungal agent MEIJI SEIKA PHARMA CO LTD 2013-10-02 CN claimed
CN-103339112-B Topical antifungal agents MEIJI SEIKA PHARMA CO.,LTD. (JP) 2015-08-12 CN disclosed
CN-104661661-A External liquid preparation for resisting trichophytosis MEIJI SEIKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-103339112-A Topical antifungal agent MEIJI SEIKA PHARMA CO LTD 2013-10-02 CN disclosed