SCHEMBL25826584

SCHEMBL25826584

CCN/C(=C\C(C)=N)C(=O)Nc1nc2cc(C#N)cc(OC)c2n1Cc1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 10/20 0.36
ENPP1 P22413 3/20 0.36
ITK Q08881 1/20 0.33
ADORA2A P29274 1/20 0.33
CNR1 P21554 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ABL1 P00519 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RIN1 Q13671 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31

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
SCHEMBL25257029 0.75 ENPP1 (0.63) STING1ENPP1
SCHEMBL30581465 0.75 ENPP1 (0.63) STING1ENPP1
SCHEMBL30581404 0.72 ALDH1A1 (0.41) FNTAFNTBPOLBHPGD
SCHEMBL25255010 0.72 ALDH1A1 (0.41) FNTAFNTBPOLBHPGD
SCHEMBL22135039 0.68 STING1 (0.49) STING1
SCHEMBL30581455 0.68 STING1 (0.61) STING1ENPP1
SCHEMBL25296182 0.68 STING1 (0.61) STING1ENPP1
SCHEMBL25427670 0.67 ENPP1 (0.62) STING1ENPP1
SCHEMBL25435618 0.67 ENPP1 (0.77) STING1ENPP1
SCHEMBL22135328 0.65 STING1 (0.51) STING1

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-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