SCHEMBL29230987

SCHEMBL29230987

CCn1cc(OC(=O)CN)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ MME P08473 1/20 0.30

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
SCHEMBL20711244 0.87 KDM4E (0.37) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL28261017 0.81 KMT2A (0.39) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL20711246 0.77 KDM4E (0.35) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL20806026 0.71 — —
Hydrochloric Acid SCHEMBL28948699 0.70 FFAR1 (0.36) FFAR1
Hydrochloric Acid SCHEMBL28027474 0.68 ALOX5 (0.36) ALDH1A1EP300FFAR1
SCHEMBL18680932 0.67 SCD (0.54) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL16093587 0.67 ALDH1A1 (0.67) ALDH1A1LMNACYP1A2KMT2AHPGD
SCHEMBL8976539 0.66 KDM4E (0.39) KDM4EKDM5CKDM4CKDM2AKDM3A
SCHEMBL6072289 0.65 ALDH1A1 (0.45) KDM4EKDM5CKDM4CKDM2AKDM3A

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
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 — — CN disclosed
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