SCHEMBL30719863

SCHEMBL30719863

c1ccc2c(c1)ccc1c2ccc2c3ccncc3ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.61
CYP3A4 P08684 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
PMP22 Q01453 1/20 0.55
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2A6 P11509 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CDK4 P11802 1/20 0.51
CCND1 P24385 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
SCHEMBL2930993 1.00 HPRT1 (0.61) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL29539263 1.00 HPRT1 (0.61) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL27186836 1.00 HPRT1 (0.61) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL3693486 0.96 CYP3A4 (0.57) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL29398977 0.96 CYP3A4 (0.57) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL17184068 0.93 CYP3A4 (0.55) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL3727530 0.87 HPRT1 (0.61) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL30858829 0.87 HPRT1 (0.61) HPRT1CYP3A4LMNAMAPTAPEX1
SCHEMBL445595 0.83 IMPDH2 (0.58) CYP3A4LMNAMAPK1KDM4ECYP1A2
SCHEMBL6387637 0.83 KDM4E (0.50) CYP3A4LMNAMAPK1KDM4ECYP1A2

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-117397393-A Organic light-emitting element, organic compound, display device, photoelectric conversion device, electronic device, illumination device, moving body, and exposure light source 佳能株式会社 2024-01-12 CN disclosed
CN-117397393-A Organic light-emitting element, organic compound, display device, photoelectric conversion device, electronic device, illumination device, moving body, and exposure light source 佳能株式会社 2024-01-12 CN disclosed