SCHEMBL28635599

SCHEMBL28635599

O=C(NCCc1ccccc1F)c1cc(Cl)nnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 7/20 0.51
CNR1 P21554 1/20 0.49
PAX8 Q06710 1/20 0.47
KLF5 Q13887 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
P2RX7 Q99572 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL31683861 1.00 NPC1 (0.53) NPC1RAB9AMEN1KMT2AHIF1A
SCHEMBL31683864 0.85 TP53 (0.49) RAB9AMEN1KMT2AP2RX7ALDH1A1
SCHEMBL28631162 0.85 TP53 (0.49) RAB9AMEN1KMT2AP2RX7ALDH1A1
SCHEMBL25447347 0.83 HIF1A (0.47) NPC1RAB9AMEN1KMT2AHIF1A
SCHEMBL28628732 0.82 ALDH1A1 (0.62) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL31683853 0.82 ALDH1A1 (0.62) NPC1RAB9AMEN1KMT2ACNR1
SCHEMBL31683856 0.82 RAB9A (0.61) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL7703547 0.82 RAB9A (0.61) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL31683860 0.80 ALDH1A1 (0.42) NPC1RAB9ACNR1P2RX7ALDH1A1
SCHEMBL28651963 0.80 ALDH1A1 (0.42) NPC1RAB9ACNR1P2RX7ALDH1A1

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
CN-113490663-A Pyridazine (thio) amides as fungicidal compounds 拜耳公司 2021-10-08 CN disclosed