SCHEMBL25259879

SCHEMBL25259879

COc1cc(C(N)=O)cc2nc(N)n(CCc3ccc(Br)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.47
ENPP1 P22413 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMPD1 P17405 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30581457 1.00 STING1 (0.47) STING1ENPP1NPC1RAB9ASMPD1
SCHEMBL25262670 0.88 SMN1; SMN2 (0.44) STING1POLBMAPT
SCHEMBL30586457 0.88 SMN1; SMN2 (0.44) STING1POLBMAPT
SCHEMBL25258702 0.87 TSHR (0.48) STING1MAPT
SCHEMBL30586485 0.87 TSHR (0.48) STING1MAPT
SCHEMBL25263480 0.86 KMT2A (0.50) STING1ENPP1
SCHEMBL31000978 0.86 KMT2A (0.50) STING1ENPP1
SCHEMBL19437552 0.83 STING1 (0.52) STING1
SCHEMBL29692138 0.82 STING1 (0.57) STING1ENPP1
SCHEMBL19437504 0.82 STING1 (0.57) STING1ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444544-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2023-07-18 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed