SCHEMBL29200520

SCHEMBL29200520

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CC=CCNC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 1.00
CYP3A4 P08684 1/20 0.67
ENPP1 P22413 2/20 0.65

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
SCHEMBL29200517 1.00 STING1 (1.00) STING1CYP3A4ENPP1
SCHEMBL19437697 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL19437698 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200591 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200595 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200519 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200621 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200506 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200618 0.93 STING1 (0.87) STING1CYP3A4ENPP1
SCHEMBL29200523 0.93 STING1 (0.87) STING1CYP3A4ENPP1

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-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed