SCHEMBL8611685

SCHEMBL8611685

CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2ccccc2-c2c(O)ccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.43
MAPT P10636 7/20 0.39
IDO1 P14902 1/20 0.39
NSD2 O96028 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL8613770 0.87 RRM1 (0.45) RRM1MAPTIDO1NSD2OPRM1
SCHEMBL8611516 0.85 NSD2 (0.44) NSD2OPRM1OPRD1HKDC1GAA
SCHEMBL8615984 0.85 RRM1 (0.41) RRM1MAPTIDO1NSD2OPRM1
Dimethylamine SCHEMBL8611687 0.83 HSP90AA1 (0.41) MAPTNSD2OPRM1OPRD1HKDC1
SCHEMBL8611708 0.83 HSP90AA1 (0.49) MAPTNSD2OPRM1OPRD1HKDC1
SCHEMBL635353 0.81 ALOX5 (0.40) RRM1MAPTIDO1TDP1GAA
SCHEMBL8612267 0.79 HSP90AA1 (0.40) MAPTNSD2OPRM1OPRD1HKDC1
Hydrochloric Acid SCHEMBL16561297 0.78 MAPT (0.40) RRM1MAPTIDO1TDP1GAA
SCHEMBL8610643 0.78 RAB9A (0.43) MAPTTDP1GAAALDH1A1KDM4E
SCHEMBL8609119 0.74 NSD2 (0.48) MAPTNSD2OPRM1OPRD1HKDC1

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-5789623-A Process for the preparation of hydroxybiarylphosphines and novel compounds of this group of substances HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed
EP-0748811-A1 Process for the preparation of hydroxybiarylphosphanes and novel compounds from this materials group HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed