SCHEMBL28036711

SCHEMBL28036711

COc1ccc(-c2ncncn2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.51
CYP1B1 Q16678 4/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4F8 P98187 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
SCHEMBL29015008 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL15464143 0.82 CCNT1 (0.45) CYP2D6
SCHEMBL28196626 0.82 NPC1 (0.58) CYP3A4NPC1RAB9AALDH1A1HTT
SCHEMBL6678654 0.81 CYP1A1 (0.58) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
Ammonia Solution, Strong SCHEMBL19740971 0.81 CCNT1 (0.44) CYP2D6
SCHEMBL7771404 0.79 NPC1 (0.55) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL196689 0.78 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL29589241 0.78 CYP1A1 (0.69) CYP1A1CYP1B1CYP3A4CYP1A2CYP2E1
SCHEMBL532852 0.77 SCN9A (0.36) CYP3A4CRHR1
SCHEMBL174453 0.76 CYP1A2 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116893571-A Photosensitive composition 东京应化工业株式会社 2023-10-17 CN disclosed
CN-116515023-A Composition and cured product 东京应化工业株式会社 2023-08-01 CN disclosed
CN-114836123-B Self-repairing resin composition and application thereof 台湾永光化学工业股份有限公司 2023-04-18 CN disclosed
CN-107189703-B Laminated glass and method for producing the same 陈台伟 2020-04-24 CN disclosed
CN-108137902-A Heat-activatable rapid curing adhesive coating 卡塞尔大学 2018-06-08 CN disclosed
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed