SCHEMBL29431636

SCHEMBL29431636

CCSc1cccnc1-c1nc2cc(SC(F)(F)F)cnc2n1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ PTPN11 Q06124 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14676338 1.00 POLB (0.34) POLBLMNARAB9AUSP2SMN1; SMN2
Acetonitrile SCHEMBL15862505 0.95 POLB (0.32) POLBLMNA
SCHEMBL14684581 0.88 LMNA (0.35) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL15868297 0.87 LMNA (0.34) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL10280726 0.85 ALOX5AP (0.35) POLBRAB9ASMN1; SMN2NPC1PKM
SCHEMBL14676724 0.85 POLB (0.48) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL29431603 0.85 POLB (0.48) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL15868283 0.84 POLB (0.40) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL15275097 0.84 AKT1 (0.40) POLBLMNARAB9AUSP2SMN1; SMN2
SCHEMBL14684623 0.84 POLB (0.40) POLBLMNARAB9AUSP2SMN1; SMN2

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-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 — — CN disclosed
Send feedback