SCHEMBL11278647

SCHEMBL11278647

Cc1c(P(=O)(c2ccccc2)c2ccccc2)nnc(P(=O)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 7/20 0.42
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11274774 0.80 NPSR1 (0.42) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL11281889 0.77 MAPT (0.37) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL14020797 0.73 KCNA5 (0.44) NPSR1MAPTALDH1A1KMT2AMEN1
Triphenylphosphine Oxide SCHEMBL513223 0.72 CA2 (0.58) NPSR1MAPTALDH1A1KMT2AMEN1
Triphenylphosphine Oxide SCHEMBL3949 0.72 CA2 (0.58) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL11275569 0.72 NPSR1 (0.44) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL18893029 0.72 KCNA5 (0.41) NPSR1MAPTALDH1A1KMT2AMEN1
Triphenylphosphine Oxide SCHEMBL29014411 0.72 ACHE (0.53) NPSR1MAPTALDH1A1KMT2AMEN1
Triphenylphosphine Oxide SCHEMBL29014409 0.72 LMNA (0.58) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL11283350 0.72 CA2 (0.46) NPSR1MAPTALDH1A1GAALMNA

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
US-4330461-A FIREPROOFING POLYESTERS AND POLYAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-18 — — US disclosed
US-4234729-A FIREPROOFING POLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-11-18 — — US disclosed
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