SCHEMBL20217596

SCHEMBL20217596

CCC(NC(=O)c1ccc(N)c(C(C)=N)c1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
HDAC2 Q92769 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
CXCR1 P25024 5/20 0.35
CXCR2 P25025 5/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL20217181 0.85 ALDH1A1 (0.48) LMNAPOLBHDAC2L3MBTL1HPGD
SCHEMBL20217243 0.82 KDM4E (0.51) LMNAHPGDALDH1A1
SCHEMBL20217320 0.78 KCNK3 (0.44) KCNK3
SCHEMBL20217176 0.77 ROCK2 (0.50) LMNAL3MBTL1MAPTCYP3A4CYP2D6
SCHEMBL20217342 0.76 APLNR (0.49)
SCHEMBL20217347 0.73 ALDH1A1 (0.47) LMNAALDH1A1
SCHEMBL20217138 0.73 ROCK1 (0.52)
SCHEMBL25516265 0.73 MAPT (0.43) LMNAPOLBL3MBTL1HPGDALDH1A1
SCHEMBL20217203 0.72 TAS1R3 (0.59)
SCHEMBL20217174 0.72 GRN (0.43) LMNA

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
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed