SCHEMBL18202015

SCHEMBL18202015

Cc1cc2ccccc2cc1-c1cc2c(ccc3ccccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ CYP2A6 P11509 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL18201998 0.87 NPC1 (0.45) CYP11B1CYP11B2ALDH1A1HSD17B10CYP1A2
SCHEMBL13863582 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2HPGDNPC1
SCHEMBL18201976 0.85 MAPT (0.42) CYP11B1CYP11B2ALDH1A1HSD17B10CYP1A2
SCHEMBL18202008 0.84 ALDH1A1 (0.47) CYP11B1CYP11B2ALDH1A1HSD17B10CYP1A2
SCHEMBL30063855 0.83 ALDH1A1 (0.52) CYP11B1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL13863581 0.83 TDP1 (0.39) CYP11B1CYP11B2ALDH1A1HSD17B10CYP1A2
SCHEMBL13169242 0.80 ALDH1A1 (0.47) CYP11B1CYP11B2ALDH1A1HSD17B10CYP1A2
SCHEMBL18202007 0.79 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1A2HPGDNPC1
SCHEMBL18202037 0.76 ALOX5AP (0.42) ALDH1A1HSD17B10NPC1HIF1ACYP1B1
SCHEMBL13169249 0.75 CCR1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDNPC1

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-2217607-B1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT EMITTING DEVICE AND DISPLAY APPARATUS USING THE SAME CANON KK (JP) 2016-11-02 — — EP disclosed
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