SCHEMBL30958249

SCHEMBL30958249

CCSc1cc(NC(=O)C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 5/20 0.41
▸ TRPV1 Q8NER1 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ ACKR3 P25106 2/20 0.32
▸ GSK3B P49841 2/20 0.32

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
SCHEMBL22683321 1.00 GNRHR (0.41) GNRHRTRPV1NPC1KDM4ERXFP1
SCHEMBL22683344 0.86 ENPP1 (0.33) POLB
SCHEMBL30958260 0.86 ENPP1 (0.33) POLB
SCHEMBL22683335 0.85 EPHX2 (0.37) GNRHRTRPV1NPC1KDM4ERXFP1
SCHEMBL20936300 0.85 AGPAT2 (0.34) POLBMAPK14
SCHEMBL31091089 0.85 EPHX2 (0.37) GNRHRTRPV1NPC1KDM4ERXFP1
SCHEMBL30958308 0.84 — —
SCHEMBL22683353 0.84 — —
SCHEMBL20936359 0.82 — —
SCHEMBL16346243 0.80 POLB (0.31) POLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 — — CN claimed
CN-118745174-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-10-08 — — CN disclosed
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 — — CN disclosed
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