SCHEMBL24316347

SCHEMBL24316347

C=C(C)C(=O)Nc1c(C)c(C)c(C)c(NC(=O)C(=C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NLRP1 Q9C000 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
BLM P54132 2/20 0.33
TGFBR1 P36897 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
BTK Q06187 2/20 0.30

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
SCHEMBL14652326 0.81 RXFP1 (0.34) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL11170777 0.74 ALDH1A1 (0.61) RXFP1ALDH1A1TDP1LMNAHTT
SCHEMBL2723974 0.74 ALDH1A1 (0.38) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL2724245 0.74 ALDH1A1 (0.38) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL21112014 0.73 RXFP1 (0.40) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL20379578 0.73 RXFP1 (0.44) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL17171615 0.72 RXFP1 (0.34) RXFP1ALDH1A1TDP1LMNAHPGD
SCHEMBL1025172 0.72 ALDH1A1 (0.66) ALDH1A1TDP1LMNAHPGDHTT
SCHEMBL13103938 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNAHPGDHTT
SCHEMBL11508100 0.69 NPC1 (0.53) RXFP1ALDH1A1TDP1HPGDKMT2A

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
WO-2022069383-A1 MEMBRANES FUJIFILM MANUFACTURING EUROPE BV (NL) 2022-04-07 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 US disclosed