SCHEMBL6561997

SCHEMBL6561997

O=P(O)(O)c1c(O)ccc2cc3cccc(O)c3c(O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 2/20 0.61
DNMT1 P26358 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
MCL1 Q07820 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
CDK2 P24941 2/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
SNCA P37840 2/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
INPPL1 O15357 1/20 0.40

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
SCHEMBL7738028 0.80 ALDH1A1 (0.66) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3198 0.78 ALDH1A1 (1.00) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL6560733 0.75 GRIN2D (0.44) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3320154 0.74 ALDH1A1 (0.91) MEN1KMT2AALDH1A1DNMT1CACNA1B
Acetic Acid SCHEMBL9119537 0.72 KMT2A (0.76) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3282140 0.71 PTPN1 (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL6349397 0.68 CDK2 (0.69) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL31037125 0.68 CDK2 (0.69) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3280396 0.68 PTPN22 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10714892 0.68 ALDH1A1 (0.76) MEN1KMT2AALDH1A1DNMT1CACNA1B

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-1154778-B1 PHARMACEUTICAL PREPARATION CONTAINING DITHRANOL ESPARMA GMBH (DE) 2004-05-12 EP disclosed
US-6413950-B1 TOPICAL APPLICATION; SKIN DISORDERS ESPARMA GMBH (DE) 2002-07-02 US disclosed