SCHEMBL31437927

SCHEMBL31437927

COC(=O)c1cc(-c2cccs2)cnc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 2/20 0.57
▸ CHEK2 O96017 2/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ NR4A2 P43354 1/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ IKBKE Q14164 3/20 0.46
▸ TBK1 Q9UHD2 3/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ATR Q13535 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL23791804 1.00 NEK2 (0.57) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL25544946 0.85 NR4A2 (0.50) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL25545582 0.84 KMT2A (0.49) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL30295565 0.84 KMT2A (0.49) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL23782395 0.83 CHEK1 (0.59) NEK2CHEK2CHEK1KDM4ENPC1
SCHEMBL31437812 0.82 NEK2 (0.45) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL21798966 0.80 HDAC1 (0.59) MAPTKDM4ENPC1NR4A2HDAC1
SCHEMBL3713695 0.79 AXL (0.59) CHEK2MAPTKMT2AMEN1IKBKE
SCHEMBL25546300 0.77 MAPT (0.51) NEK2CHEK2CHEK1MAPTKDM4E
SCHEMBL13363241 0.77 NR4A2 (0.58) MAPTKDM4ENPC1NR4A2HSD17B10

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-2025011533-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-01-16 — — WO disclosed
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