SCHEMBL30353056

SCHEMBL30353056

Cn1nc(-c2ccccn2)cc1Oc1cc(C#N)ccc1-c1ccc(CCN)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.36
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL25554072 1.00 GRM5 (0.36) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL25554896 0.93 GRM5 (0.37) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL30353118 0.93 GRM5 (0.37) GRM5CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL25554706 0.92 CYP11B1 (0.36) GRM5CYP19A1CYP11B1CYP11B2
SCHEMBL30353098 0.90 GRM5 (0.36) GRM5CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL30257418 0.90 NPC1 (0.36) GRM5CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL25554262 0.90 GRM5 (0.36) GRM5CYP19A1CYP11B1CYP11B2KCNH2
SCHEMBL25554084 0.90 NPC1 (0.36) GRM5CYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL30353086 0.89 CYP11B1 (0.40) GRM5CYP19A1CYP11B1CYP11B2
SCHEMBL30256691 0.89 GRM5 (0.37) GRM5CYP19A1CYP11B1CYP11B2MEN1

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-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed