SCHEMBL7830474

SCHEMBL7830474

CC1(C)COC(c2ccccc2-c2cc(C(=O)O)cc(C(=O)O)c2)=N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
RXRA P19793 1/20 0.40
IL2 P60568 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CYP2D6 P10635 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
SCHEMBL8873328 0.88 RARB (0.50) KDM4ERARBRARGRXRAIL2
SCHEMBL27414505 0.86 KDM4E (0.40) KDM4EIL2HTTLMNAMAPT
SCHEMBL7112634 0.81 KDM4E (0.53) KDM4EIL2HTTLMNAMAPT
SCHEMBL18380643 0.80 KDM4E (0.61) KDM4EHTTLMNAMAPTHRH3
SCHEMBL7824728 0.79 NPC1 (0.47) KDM4EIL2DHODH
SCHEMBL8702016 0.77 KMT2A (0.43) KDM4EHTTMAPTALDH1A1
SCHEMBL8873184 0.77 MAPT (0.40) KDM4EIL2MAPTALDH1A1
SCHEMBL600184 0.76 LMNA (0.47) KDM4ERARBRARGIL2HTT
SCHEMBL8872923 0.75 LMNA (0.46) KDM4ERARBRARGRXRAIL2
SCHEMBL29908924 0.74 DHODH (0.57) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed