SCHEMBL11037016

SCHEMBL11037016

O=P(O)(O)OCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
KCNN4 O15554 3/20 0.43
DUT P33316 3/20 0.40
PTPN1 P18031 1/20 0.39
TSHR P16473 1/20 0.37
SRC P12931 1/20 0.36
PIN1 Q13526 4/20 0.35
FDPS P14324 1/20 0.35
MIF P14174 1/20 0.34

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
SCHEMBL4449808 0.81 TSHR (0.59) KIF11KCNN4PTPN1TSHRSRC
SCHEMBL10615895 0.78 KIF11 (0.38) KIF11KCNN4DUTTSHR
SCHEMBL10065919 0.75 KIF11 (0.55) KIF11KCNN4DUTMIF
Silver SCHEMBL4449805 0.75 KIF11 (0.41) KIF11KCNN4DUTTSHRSRC
SCHEMBL9549641 0.74 GAA (0.40) TSHRPIN1
SCHEMBL29025199 0.74 MAPT (0.47) TSHRSRCPIN1
SCHEMBL21714562 0.74 PTPN1 (0.42) KIF11KCNN4PTPN1TSHRSRC
SCHEMBL12264131 0.73 KIF11 (0.74) KIF11KCNN4DUTTSHRMIF
SCHEMBL2100989 0.73 KCNN4 (0.50) KIF11KCNN4PTPN1SRCFDPS
SCHEMBL17980744 0.72 KIF11 (0.52) KIF11KCNN4DUTTSHRMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161519-A2 Derivatives of glycerophosphocholine and of glycerophosphoethanol amine, their preparation and use CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1985-11-21 EP disclosed