SCHEMBL29457286

SCHEMBL29457286

O=C(O)c1ncn2c1CNCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SLC6A1 P30531 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
BLM P54132 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL28933853 0.98 BLM (0.35) TSHRSLC6A1SLC6A13KDM5CKDM4C
SCHEMBL24732123 0.85 ALDH1A1 (0.35)
SCHEMBL29752474 0.78 MGLL (0.30)
SCHEMBL22054130 0.78 OPRD1 (0.38) GAAKDM4E
SCHEMBL20691676 0.78 GABRG2 (0.42)
SCHEMBL29941149 0.76 POLB (0.32)
SCHEMBL17745465 0.75 HSD17B10 (0.41) TSHRGAAPKMKDM4E
SCHEMBL25332619 0.74 HSD17B10 (0.47) TSHRGAAPKM
Trifluoroacetic Acid SCHEMBL21986921 0.73 GSK3B (0.38) PKM
Trifluoroacetic Acid SCHEMBL21986919 0.73 GSK3B (0.38) PKM

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
WO-2022222963-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 长春金赛药业有限责任公司 2022-10-27 WO disclosed