SCHEMBL30739653

SCHEMBL30739653

COc1c(F)cccc1C(=O)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TDP1 Q9NUW8 1/20 0.58
LCLAT1 Q6UWP7 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.54
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
NR1H4 Q96RI1 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL30739687 0.90 LMNA (0.65) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL10061327 0.84 HPGD (0.70) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL27739490 0.83 RAB9A (0.76) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL24118812 0.82 NPC1 (0.62) NPC1RAB9AKMT2AMEN1LCLAT1
SCHEMBL7959090 0.82 TP53 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11843580 0.81 BCAT2 (0.56) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL27471522 0.81 KMT2A (0.48) NPC1RAB9AKMT2ALCLAT1SMN1; SMN2
SCHEMBL20995719 0.81 NPC1 (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4363732 0.80 MEN1 (0.89) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL27675594 0.80 KMT2A (0.48) NPC1RAB9AKMT2AMEN1TDP1

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
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed