SCHEMBL16995176

SCHEMBL16995176

NOc1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.58
▸ RAB9A P51151 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 6/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ GMNN O75496 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ CCR1 P32246 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ MTOR P42345 1/20 0.54

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
SCHEMBL17924042 0.83 MAPT (0.59) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL4386263 0.83 KDM4E (0.72) KDM4ERAB9ANPC1MAPTLMNA
Hydrochloric Acid SCHEMBL27496748 0.81 KDM4E (0.59) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL10879313 0.80 RAB9A (0.60) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL3860121 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL22772422 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL5654520 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL21753772 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL170428 0.79 MEN1 (0.68) KDM4ERAB9ANPC1MAPTLMNA
Hydrochloric Acid SCHEMBL5674145 0.79 KDM4E (0.58) KDM4ERAB9ANPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723885-B1 METHOD FOR CLASSIFYING THE PRESENCE OR ABSENCE OF A MICROORGANISM IN A BIOLOGICAL MEDIUM COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-12 — — EP disclosed
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