SCHEMBL29431637

SCHEMBL29431637

CCSc1cccnc1-c1nc2cc(C(F)(F)C(F)(F)F)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 1/20 0.30
▸ 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
SCHEMBL14684623 1.00 POLB (0.40) POLBLMNARAB9AUSP2PDE10A
SCHEMBL29431603 0.92 POLB (0.48) POLBLMNARAB9AUSP2PDE10A
SCHEMBL14676724 0.92 POLB (0.48) POLBLMNARAB9AUSP2PDE10A
SCHEMBL15868283 0.91 POLB (0.40) POLBLMNARAB9AUSP2PDE10A
SCHEMBL29431612 0.88 POLB (0.43) POLB
SCHEMBL14684616 0.88 POLB (0.43) POLB
SCHEMBL27172665 0.86 POLB (0.40) POLB
SCHEMBL30205926 0.86 POLB (0.40) POLB
SCHEMBL14676535 0.85 POLB (0.48) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL14684609 0.85 POLB (0.48) POLBRAB9ANPC1MEN1KMT2A

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