SCHEMBL30739780

SCHEMBL30739780

C=Cc1cc(NC(=O)c2ccccc2)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
HPGD P15428 1/20 0.55
KCNK3 O14649 4/20 0.54
KCNK9 Q9NPC2 3/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SNCA P37840 1/20 0.49
PKM P14618 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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
SCHEMBL30739767 0.84 RAB9A (0.57) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL8203978 0.81 RAB9A (1.00) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL30739717 0.79 HDAC1 (0.54) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL20522825 0.77 NPC1 (0.73) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL27474740 0.77 NPC1 (0.73) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL30739897 0.77 HDAC1 (0.48) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL30740001 0.77 NPC1 (0.68) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL22465984 0.75 NPC1 (0.61) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL20522706 0.75 NPC1 (0.69) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL30739898 0.75 HDAC1 (0.64) NPC1RAB9AHPGDKCNK3KCNK9

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