SCHEMBL31218757

SCHEMBL31218757

COC(=O)c1ccc(-n2cccc(N)c2=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CRBN Q96SW2 4/20 0.43
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ DDB1 Q16531 2/20 0.42
▸ OGA O60502 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 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
SCHEMBL26101178 1.00 RAB9A (0.54) RAB9AMAPTNPC1KMT2AMAPK1
SCHEMBL16794688 0.86 P2RY12 (0.46) RAB9AMAPTNPC1KDM4ETSHR
SCHEMBL26101531 0.81 GAA (0.46) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL31218818 0.80 RAB9A (0.61) RAB9AMAPTNPC1KMT2AMAPK1
SCHEMBL20689381 0.79 TYK2 (0.40) RAB9AMAPTNPC1KMT2AALDH1A1
SCHEMBL20689682 0.78 ALDH1A1 (0.48) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL20689137 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1POLBALDH1A1HSD17B10
SCHEMBL23753623 0.76 NOS3 (0.39) RAB9ANPC1KMT2ATSHRALDH1A1
SCHEMBL18161077 0.76 GPR119 (0.34) RAB9ANPC1KDM4EL3MBTL1HRH3
SCHEMBL31572570 0.74 TYK2 (0.32) MAPT

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-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 — — CN disclosed
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