SCHEMBL4457481

SCHEMBL4457481

CC(CC(N)Cc1nc2ccccc2[nH]1)(CC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
DDAH1 O94760 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
DRD4 P21917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EGFR P00533 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 3/20 0.38
ALPL P05186 1/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL6223336 0.89 KDM4E (0.41) KDM4ERAB9ADDAH1HTTPOLB
SCHEMBL4139697 0.75 LOXL2 (0.38) RAB9AMAPT
SCHEMBL448531 0.70 DDAH1 (0.42) KDM4ERAB9ADDAH1HTTPOLB
SCHEMBL825212 0.69 RAB9A (0.57) KDM4ERAB9ADDAH1HTTPOLB
SCHEMBL20237230 0.68 RAB9A (0.56) KDM4ERAB9ADDAH1POLBALDH1A1
SCHEMBL8025715 0.68 DDAH1 (0.61) KDM4ERAB9ADDAH1POLBGAA
SCHEMBL30207649 0.68 DDAH1 (0.61) KDM4ERAB9ADDAH1POLBGAA
SCHEMBL4124888 0.67 DDAH1 (0.56) KDM4ERAB9ADDAH1HTTPOLB
SCHEMBL2944702 0.66 DDAH1 (0.54) KDM4ERAB9ADDAH1HTTPOLB
SCHEMBL15103507 0.66 DPP4 (0.41) KDM4ECYP3A4CYP2D6

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-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO disclosed