SCHEMBL28902108

SCHEMBL28902108

COc1ccc(Cc2cc3ccccc3nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.53
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 1/20 0.47
APP P05067 1/20 0.47
MPO P05164 1/20 0.46
HSP90AB1 P08238 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29975871 1.00 TLR8 (0.53) TLR8CYP11B1CYP11B2CYP2D6ALDH1A1
SCHEMBL2144380 0.84 ALDH1A1 (0.49) CYP11B1CYP11B2CYP2D6ALDH1A1ATM
SCHEMBL30842282 0.84 CYP11B1 (0.53) CYP11B1CYP11B2CYP2D6ALDH1A1CYP1A2
SCHEMBL3207917 0.83 TLR8 (0.57) TLR8ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL22775887 0.83 CYP11B1 (0.52) CYP11B1CYP11B2CYP2D6ALDH1A1CYP1A2
SCHEMBL3218795 0.78 TLR8 (0.62) TLR8LTA4H
SCHEMBL3206611 0.77 TLR8 (0.60) TLR8
SCHEMBL28802664 0.76 ALDH1A1 (0.49) CYP2D6ALDH1A1ATMLTA4HAPP
SCHEMBL30779218 0.76 ALDH1A1 (0.49) CYP2D6ALDH1A1ATMLTA4HAPP
SCHEMBL3214978 0.74 TP53 (0.47) TLR8ALDH1A1CYP1A2HSP90AB1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026094-B PRMT5 inhibitors 印度鲁宾有限公司 2024-06-25 CN disclosed
CN-111712498-B Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors 鲁平有限公司 2023-09-29 CN disclosed
CN-115135651-A Substituted nucleoside analogs as PRMT5 inhibitors 鲁皮恩有限公司 2022-09-30 CN disclosed
CN-114026094-A PRMT5 inhibitor 印度鲁宾有限公司 2022-02-08 CN disclosed
CN-111712498-A Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors 鲁平有限公司 2020-09-25 CN disclosed