SCHEMBL30854992

SCHEMBL30854992

c1cc(Nc2ccncc2)cc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.55
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TTBK1 Q5TCY1 1/20 0.53
TTBK2 Q6IQ55 1/20 0.53
PIM1 P11309 1/20 0.52
PLK4 O00444 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
CAMK2D Q13557 1/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL30854958 0.84 MAPT (0.65) TTBK1TTBK2PLK4MAPTKDM4E
SCHEMBL6992776 0.79 LMNA (0.57) PLOD2PLOD3PLOD1HDAC3HDAC1
SCHEMBL30854948 0.78 KDM4E (0.69) PLOD2PLOD3PLOD1PLK4MAPT
SCHEMBL30855009 0.78 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL2087362 0.78 LMNA (0.55) PLOD2PLOD3PLOD1HDAC3HDAC1
SCHEMBL31025693 0.77 HDAC3 (0.49) PLOD2PLOD3PLOD1HDAC3HDAC1
SCHEMBL25193121 0.77 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6TTBK1
SCHEMBL19623431 0.76 HDAC1 (0.56) PLOD2PLOD3PLOD1HDAC3HDAC1
SCHEMBL27970512 0.76 LMNA (0.53) PLOD2PLOD3PLOD1HDAC3HDAC1
SCHEMBL108137 0.76 LMNA (0.53) PLOD2PLOD3PLOD1HDAC3HDAC1

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