SCHEMBL27937814

SCHEMBL27937814

CCCCCCCCCCc1cc2ccccc2cc1NC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.49
▸ LIPG Q9Y5X9 1/20 0.45
▸ KCNH2 Q12809 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GPR3 P46089 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 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
SCHEMBL27937824 1.00 TLR8 (0.49) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL27919207 0.93 TLR8 (0.49) TLR8LIPGCYP3A4MEN1TYR
SCHEMBL11227235 0.84 TLR8 (0.59) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL11229645 0.84 TLR8 (0.59) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL28046693 0.82 TLR8 (0.61) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL6661787 0.80 TLR8 (0.56) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL5010709 0.80 TLR8 (0.56) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL11349035 0.79 LIPG (0.55) LIPGKCNH2ALOX5NR1H2NR1H3
SCHEMBL4089467 0.79 LIPG (0.55) LIPGKCNH2ALOX5NR1H2NR1H3
SCHEMBL4083405 0.79 LIPG (0.55) LIPGKCNH2ALOX5NR1H2NR1H3

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
CN-103298772-B Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2015-06-24 — — CN disclosed
CN-103298772-A Method for producing aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL CO 2013-09-11 — — CN disclosed
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