SCHEMBL30739660

SCHEMBL30739660

CCCNC(=O)c1c(F)cccc1F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
TRPA1 O75762 2/20 0.56
KMT2A Q03164 4/20 0.52
CYP1A2 P05177 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47

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
SCHEMBL14454110 0.90 NPC1 (0.53) NPC1RAB9ATRPA1KMT2ACYP1A2
SCHEMBL18359173 0.89 HPGD (0.57) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL14454225 0.89 NPC1 (0.51) NPC1RAB9ATRPA1KMT2ACYP1A2
SCHEMBL19542266 0.86 NAAA (0.59) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13753145 0.86 CNR2 (0.60) NPC1RAB9ATRPA1KMT2ACYP1A2
SCHEMBL13226271 0.85 RAB9A (0.57) NPC1RAB9ATRPA1KMT2ACYP1A2
SCHEMBL13753146 0.84 L3MBTL1 (0.45) NPC1RAB9ATRPA1KMT2ACYP1A2
SCHEMBL12462056 0.83 NPC1 (0.65) NPC1RAB9AKMT2ACYP1A2ALDH1A1
SCHEMBL30739936 0.83 NPC1 (0.65) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL19836113 0.83 NPC1 (0.65) NPC1RAB9AKMT2AALDH1A1POLB

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