SCHEMBL31017189

SCHEMBL31017189

CC1CCCC(c2ccc3scnc3c2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.35
▸ CLK4 Q9HAZ1 4/20 0.35
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RIPK2 O43353 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SPPL2A Q8TCT8 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32

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
SCHEMBL31043183 0.81 RIPK2 (0.33) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL31043156 0.81 RIPK2 (0.33) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL31424095 0.81 RIPK2 (0.33) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL31043230 0.81 RIPK2 (0.33) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL25324534 0.78 ALDH1A1 (0.34) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL25324531 0.78 ALDH1A1 (0.34) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL25913598 0.78 ALDH1A1 (0.34) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL25327271 0.78 ALDH1A1 (0.34) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL30522987 0.78 ALDH1A1 (0.34) DYRK1ACLK4PRMT5WDR77ALDH1A1
SCHEMBL24363885 0.77 CHRNB2 (0.44) DYRK1ACLK4ALDH1A1HSD17B10RIPK2

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