SCHEMBL8309977

SCHEMBL8309977

O=C(O)c1ccc(-c2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.57
DYRK1A Q13627 5/20 0.53
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
P4HA1 P13674 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
HPGDS O60760 1/20 0.48
FYN P06241 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ABL1 P00519 2/20 0.47
SLC6A7 Q99884 1/20 0.47
XDH P47989 1/20 0.46
DHODH Q02127 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL5129590 0.83 LDHA (0.59) LDHAP4HA1P4HTMABL1DHODH
SCHEMBL2251685 0.82 LDHA (0.62) LDHADYRK1AP4HA1P4HTMHPGDS
SCHEMBL5515377 0.82 KMO (0.56) CSNK2A2CSNK2BDHODHMRGPRX4
SCHEMBL503140 0.81 LDHA (0.79) LDHAP4HA1P4HTMHPGDSCYP4F2
SCHEMBL29784241 0.80 RXRA (0.61) CSNK2A2CSNK2BSLC6A7DHODH
SCHEMBL505417 0.80 RXRA (0.61) CSNK2A2CSNK2BSLC6A7DHODH
SCHEMBL1111583 0.80 RXRA (0.68) LDHAP4HA1P4HTMHPGDSFYN
SCHEMBL31243316 0.80 LDHA (0.77) LDHAP4HA1P4HTMHPGDSCYP4F2
SCHEMBL5934534 0.80 TRPV1 (0.60) ABL1
SCHEMBL3409448 0.79 DYRK1A (0.50) DYRK1AFYNXDH

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
US-5872136-A Arylheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-16 US disclosed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed