SCHEMBL27919136

SCHEMBL27919136

CCCCc1cc(NC)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ABCB11 O95342 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ PTPN1 P18031 3/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ GAA P10253 1/20 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
SCHEMBL27919171 0.94 MAPT (0.47) TRPV1MAPT
SCHEMBL28805668 0.94 MAPT (0.47) TRPV1MAPT
SCHEMBL11787824 0.90 EPHX1 (0.39) MAPTLMNAALDH1A1CYP1A2EPHX1
SCHEMBL27919311 0.83 CYP1A2 (0.47) LMNAALDH1A1CYP1A2EPHX1GAA
SCHEMBL27937801 0.83 TRPV1 (0.47) TRPV1BCHEPTPN1PSMB5
SCHEMBL27279895 0.78 TLR8 (0.45) MAPTLMNAALDH1A1SMN1; SMN2PDE10A
SCHEMBL28805666 0.78 APOBEC3A (0.44) ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL27937790 0.77 TRPV1 (0.46) TRPV1LMNAALDH1A1
SCHEMBL28807531 0.77 TRPV1 (0.46) TRPV1LMNAALDH1A1
SCHEMBL8728863 0.77 LMNA (0.42) MAPTLMNAALDH1A1SMN1; SMN2BCHE

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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