SCHEMBL30934634

SCHEMBL30934634

CC(=O)Nc1c[nH]c2ccc(CN)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.43
SMYD3 Q9H7B4 1/20 0.41
HTR1A P08908 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2C P28335 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
SPR P35270 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
SCHEMBL25026115 1.00 STING1 (0.43) STING1SMYD3HTR1AHTR1DHTR1B
SCHEMBL25026093 0.87 STING1 (0.53) STING1HTR1AHTR1DHTR1BGABRA1
SCHEMBL30233987 0.84 STING1 (0.42) STING1HTR1AHPGDLMNACYP2C9
SCHEMBL25026135 0.84 STING1 (0.42) STING1HTR1AHPGDLMNACYP2C9
SCHEMBL25025598 0.84 MTNR1A (0.49) HTR1AHTR1DHTR1BLMNAMTNR1A
SCHEMBL25026032 0.83 CLK1 (0.43) STING1HTR1AHPGDLMNACYP2C9
SCHEMBL25554406 0.82 LMNA (0.52) STING1HPGDLMNACYP2C9MTNR1A
SCHEMBL25554403 0.80 MTNR1A (0.46) STING1HTR1AHPGDLMNACYP2C9
SCHEMBL30233531 0.79 NPSR1 (0.56) HTR1AHTR1DHTR1BHPGDLMNA
SCHEMBL25024359 0.79 NPSR1 (0.56) HTR1AHTR1DHTR1BHPGDLMNA

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-118119595-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-05-31 CN disclosed