SCHEMBL28935901

SCHEMBL28935901

Cc1ccc2c(c1)nc(-c1ccccc1)n2C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.60
ALOX5AP P20292 11/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACSS2 Q9NR19 1/20 0.46
FGFR1 P11362 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
NQO2 P16083 1/20 0.41

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
SCHEMBL10249377 0.86 ALOX5AP (0.64) NLRP3ALOX5APNPC1RAB9A
SCHEMBL29899911 0.83 HPGD (0.53) ALOX5APKDM4EALDH1A1NPC1HPGD
SCHEMBL22177876 0.83 HPGD (0.53) ALOX5APKDM4EALDH1A1NPC1HPGD
SCHEMBL25555415 0.81 ALOX5AP (0.53) ALOX5AP
SCHEMBL13042966 0.79 ALOX5AP (0.51) ALOX5AP
SCHEMBL1104834 0.79 NLRP3 (0.65) NLRP3KDM4EALDH1A1L3MBTL1ACSS2
SCHEMBL13042879 0.78 ALOX5AP (0.50) ALOX5AP
SCHEMBL13043027 0.78 ALOX5AP (0.50) ALOX5AP
SCHEMBL13299534 0.78 NLRP3 (0.72) NLRP3KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL13042749 0.77 ALOX5AP (0.49) ALOX5AP

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-109053558-B Synthesis method of N-heterocyclic amide derivative 贵州大学 2022-02-18 CN disclosed