SCHEMBL16498355

SCHEMBL16498355

CCS(=O)(=O)NC(=O)c1ccc2c(C3=CCCCC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SLC5A1 P13866 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ NEK2 P51955 1/20 0.35

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
SCHEMBL16498847 0.88 MAPT (0.36) MAPTTP53SLC5A1NAMPTLMNA
SCHEMBL16498279 0.83 CHEK1 (0.44) MAPTSLC5A1NPC1RAB9AHTT
SCHEMBL16512790 0.80 SLC5A1 (0.35) MAPTTP53SLC5A1NAMPTLMNA
SCHEMBL16498519 0.77 SCN9A (0.40) CFTRMAPTTP53LMNAALDH1A1
SCHEMBL16498371 0.74 TP53 (0.41) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL16498268 0.72 KMT2A (0.42) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL16512871 0.71 ELANE (0.38) MAPTSLC5A1ALDH1A1HPGDKDM4E
SCHEMBL16512866 0.67 PTGER1 (0.46) SLC5A1LMNAALDH1A1CYP2C9CYP1A2
SCHEMBL16512632 0.66 TDP1 (0.36) MAPTSLC5A1ALDH1A1HPGDKDM4E
SCHEMBL16498609 0.65 NR1I2 (0.43) CFTRLMNAALDH1A1HPGDKDM4E

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-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO claimed
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