SCHEMBL22095067

SCHEMBL22095067

C1=C(c2ccccc2)c2ccccc2C1=[Ru][PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
PTPRC P08575 2/20 0.42
PTPRF P10586 1/20 0.42
CDC25B P30305 1/20 0.42
BACE1 P56817 2/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B3 P37058 1/20 0.31

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
SCHEMBL23217518 0.73 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL21113725 0.73 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL18520465 0.62 PTPN1 (0.40) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL30433091 0.62 PTPN1 (0.76) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL25784565 0.62 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL5139479 0.62 PTPN1 (0.76) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL19252765 0.62 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL5087342 0.62 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL30930003 0.62 PTPN1 (0.52) PTPN1PTPRCPTPRFCDC25BBACE1
SCHEMBL9120460 0.61 PTPN1 (0.50) PTPN1PTPRCPTPRFCDC25BBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894163-A1 COATING COMPOSITIONS Materia, Inc. (US) 2021-10-20 EP disclosed
WO-2020123946-A1 COATING COMPOSITIONS MATERIA, INC. (US) 2020-06-18 WO disclosed