SCHEMBL23355443

SCHEMBL23355443

COC(=O)c1ccc2c(-c3c(F)cccc3F)c(C)nn2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ SPR P35270 1/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL30933439 0.92 ALDH1A1 (0.36) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23355444 0.92 ALDH1A1 (0.36) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23355480 0.84 KMT2A (0.37) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL24251609 0.84 KMT2A (0.37) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL23355473 0.83 KMT2A (0.36) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL23355436 0.73 JAK1 (0.39) KMT2ASMN1; SMN2NPC1RAB9APDE4B
SCHEMBL23355434 0.73 GAA (0.46) KMT2AL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL23355438 0.72 PDE4B (0.35) PDE4BPDE4DELANERORCALDH1A1
SCHEMBL26632152 0.69 SLC6A4 (0.45) KMT2ASMN1; SMN2NPC1CASP3RAB9A
SCHEMBL24251587 0.68 HPGD (0.44) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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-112996788-B Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2024-07-16 — — CN disclosed
CN-112996788-A Anthelmintic heterocyclic compounds 勃林格殷格翰动物保健美国公司 2021-06-18 — — CN disclosed
EP-3820870-A1 ANTHELMINTHIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-05-19 — — EP disclosed
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