SCHEMBL21723360

SCHEMBL21723360

COC(=O)c1cc(-c2nc(S)nn2C)c(F)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALPL P05186 2/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL21723211 0.75 CYP1A2 (0.35) KMT2AALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL27890 0.71 KDM4E (0.43) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL20470613 0.70 PDGFRB (0.42) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL21723344 0.68 CRHR1 (0.36) PDGFRB
SCHEMBL30344115 0.67 CA12 (0.46) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL21932887 0.66 PDGFRB (0.42) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL1418414 0.66 PDGFRB (0.42) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL25155768 0.66 KDM4E (0.51) KMT2AALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL15543856 0.66 CFTR (0.46) KMT2AALDH1A1TSHRHSD17B10HPGD
SCHEMBL20571340 0.66 SOS1 (0.48) KMT2AALDH1A1TSHRHSD17B10HPGD

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-2020036134-A1 5-(1,2,4-TRIAZOLE-5-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT クミアイ化学工業株式会社 2020-02-20 WO disclosed