SCHEMBL7004490

SCHEMBL7004490

CCCOc1cccc(-c2ccc3ccccc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.64
CYSLTR1 Q9Y271 2/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
CYSLTR2 Q9NS75 1/20 0.55
DHODH Q02127 1/20 0.54
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX12 P18054 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL7004489 0.89 PDE10A (0.52) GPBAR1CYSLTR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7004665 0.82 NPC1 (0.48) GPBAR1CYSLTR1ALDH1A1KDM4ELMNA
SCHEMBL6851588 0.81 RAB9A (0.69) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL29746123 0.81 RAB9A (0.69) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL10665251 0.81 CYP3A4 (0.56) GPBAR1CYSLTR1SMN1; SMN2HTTCYSLTR2
SCHEMBL6858239 0.80 RAB9A (0.67) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL7005638 0.77 MAP4K4 (0.56) GPBAR1CYSLTR1ALDH1A1KDM4ELMNA
SCHEMBL7007754 0.77 NPC1 (0.54) GPBAR1CYSLTR1ALDH1A1KDM4ELMNA
SCHEMBL198917 0.77 KDM4E (0.59) GPBAR1CYSLTR1KDM4ESMN1; SMN2MAPT
SCHEMBL17449881 0.77 RAB9A (0.62) ALDH1A1KDM4ELMNASMN1; SMN2GAA

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
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed