SCHEMBL29390818

SCHEMBL29390818

O=C1c2ccccc2-c2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.55
PTPN1 P18031 2/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CDC25B P30305 1/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 4/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
ELANE P08246 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
S100A4 P26447 3/20 0.52
LMNA P02545 3/20 0.52
PLA2G1B P04054 3/20 0.52
ATG4B Q9Y4P1 3/20 0.52
MAPT P10636 3/20 0.52

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
SCHEMBL181722 1.00 PTPRC (0.55) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL3894758 0.98 MEN1 (0.57) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL13487409 0.95 PTPRC (0.60) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL30886642 0.95 PTPRC (0.60) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL563010 0.95 MEN1 (0.55) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL13487417 0.91 PTPRC (0.59) PTPRCPTPN1MEN1KMT2ACDC25B
SCHEMBL9811010 0.91 CA1 (0.48) PTPRCPTPN1NPC1RAB9AALDH1A1
SCHEMBL30479662 0.91 CA1 (0.52) PTPRCPTPN1ALDH1A1CYP3A4S100A4
SCHEMBL7432075 0.91 CA1 (0.52) PTPRCPTPN1ALDH1A1CYP3A4S100A4
SCHEMBL9328908 0.91 CA1 (0.52) PTPRCPTPN1MEN1KMT2ACDC25B

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
EP-4438693-A2 HETEROCYCLIC SPIRO COMPOUNDS Merck Patent GmbH (DE) 2024-10-02 EP disclosed
EP-3708634-B1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2024-08-14 EP disclosed
EP-3946712-A1 A SOLVENT DRYING COMPOSITION AND PROCESSES THERFOR Aquafortus Technologies Limited (NZ) 2022-02-09 EP disclosed