SCHEMBL30855009

SCHEMBL30855009

c1cc(Nc2ncco2)cc(N2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TTBK1 Q5TCY1 1/20 0.52
TTBK2 Q6IQ55 1/20 0.52
PLK4 O00444 2/20 0.52
CAMK2D Q13557 1/20 0.51
JAK2 O60674 5/20 0.49
CCNT1 O60563 2/20 0.49
CDK2 P24941 2/20 0.49
CDK9 P50750 2/20 0.49
CCNE1 P24864 1/20 0.49
PIM1 P11309 1/20 0.48
EPHB4 P54760 1/20 0.46
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
JAK3 P52333 2/20 0.44
TGFBR1 P36897 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
SCHEMBL5200210 0.85 PLK4 (0.53) PLK4JAK2MAPK10
SCHEMBL30854979 0.79 AGXT (0.49) HDAC1PLK4CAMK2DNTRK1
SCHEMBL30854992 0.78 PLOD2 (0.55) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL4463575 0.76 PLK4 (0.69) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL20260113 0.75 VCP (0.61) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL6992776 0.75 LMNA (0.57) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL544111 0.74 MEN1 (0.50) CAMK2DCDK2
SCHEMBL2087362 0.74 LMNA (0.55) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL5199413 0.73 CD274 (0.46) PLK4JAK2PIM1MAPK10NTRK1
SCHEMBL19623431 0.72 HDAC1 (0.56) HDAC3HDAC1HDAC2HDAC6TTBK1

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-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed