SCHEMBL31363017

SCHEMBL31363017

COC(=O)N(N)Cc1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
P2RX7 Q99572 2/20 0.36
CISD2 Q8N5K1 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30919490 0.82 PYCR1 (0.45) PYCR1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL32671428 0.80 PYCR1 (0.37) PYCR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL28269444 0.76 PYCR1 (0.45) PYCR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL30919501 0.76 PYCR1 (0.45) PYCR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL7342574 0.74 PYCR1 (0.53) PYCR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL29031394 0.72 PYCR1 (0.56) PYCR1ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL30919505 0.72 POLB (0.45) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL10015983 0.71 NPC1 (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29518212 0.70 PYCR1 (0.50) PYCR1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4967804 0.70 PYCR1 (0.53) PYCR1NPC1RAB9AALDH1A1KDM4E

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed