SCHEMBL30973203

SCHEMBL30973203

Clc1nc2ccc(I)cc2n2ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
CUL4A Q13619 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAPK8 P45983 9/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL25824093 1.00 IKBKB (0.45) IKBKBCUL4AGRIN2DGRIN3BGRIA1
SCHEMBL25824021 0.88 HTR3E (0.40) IKBKBCUL4AGRIN2DGRIN3BGRIA1
SCHEMBL8102963 0.84 CUL4A (0.51) IKBKBCUL4AMAPK8KDM4EALDH1A1
SCHEMBL24832295 0.82 IKBKB (0.45) IKBKBCUL4AGRIN2DGRIN3BGRIA1
SCHEMBL121472 0.82 HTR3E (0.45) IKBKBCUL4AGRIN2DGRIN3BGRIA1
SCHEMBL13077027 0.82 IKBKB (0.66) IKBKBMAPK8KDM4EALDH1A1POLB
SCHEMBL17895298 0.78 IKBKB (0.42) IKBKB
SCHEMBL30578099 0.78 MAPK8 (0.54) IKBKBMAPK8KDM4EALDH1A1GLA
SCHEMBL120846 0.78 MAPK8 (0.54) IKBKBMAPK8KDM4EALDH1A1GLA
SCHEMBL8118650 0.78 GRIN2D (0.49) IKBKBGRIN2DGRIN3BGRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359617-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 CN disclosed
CN-118359604-A Protein arginine methyltransferase inhibitors 华润医药研究院(深圳)有限公司 2024-07-19 CN disclosed