SCHEMBL30973172

SCHEMBL30973172

O=C(Nc1ccc(I)cc1F)c1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.42
MAP2K2 P36507 4/20 0.41
FPR2 P25090 1/20 0.41
PRKCZ Q05513 1/20 0.40
IARS2 Q9NSE4 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.39
PTGFR P43088 1/20 0.38
GAA P10253 1/20 0.38
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL2817711 0.81 RAB9A (0.55) POLBMAPTHTT
SCHEMBL31377519 0.74 VCP (0.54)
SCHEMBL29892765 0.73 KMT2A (0.53) POLBMAPTHTTGAA
SCHEMBL7979756 0.72 TP53 (0.51) MAP2K1MAP2K2PRKCZIARS2TP53
SCHEMBL9542710 0.72 MAPT (0.48) TP53MAPTGAA
SCHEMBL31485290 0.72 MAP2K1 (0.53) MAP2K1MAP2K2POLBMAPTHTT
SCHEMBL15771675 0.72 XPO1 (0.41) POLBRXFP1HTT
SCHEMBL20741611 0.71 HTT (0.51) MAP2K1MAP2K2HTTGAA
SCHEMBL1419646 0.71 KIF11 (0.57) MAP2K1MAP2K2HTT
SCHEMBL2650449 0.71 HDAC1 (0.58) MAP2K1MAP2K2POLBMAPTHTT

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