SCHEMBL7264679

SCHEMBL7264679

CON(C)C(=O)c1ccc(I)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.40
MAP2K2 P36507 5/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
MLYCD O95822 1/20 0.38
GPR119 Q8TDV5 3/20 0.36
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
GPR27 Q9NS67 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL6710893 0.83 CES2 (0.53) PIK3CAMTORMLYCDTRPM8
SCHEMBL21516873 0.83 MAP2K1 (0.52) MAP2K1MAP2K2PIK3CAMTORGPR27
SCHEMBL23003420 0.82 PDK2 (0.42) PIK3CAMTORMLYCDGPR119TRPM8
SCHEMBL20982579 0.82 MLYCD (0.49) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL29688875 0.82 PIK3CA (0.43) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL12121067 0.82 PIK3CA (0.43) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL30514003 0.81 CPS1 (0.55) CLK1DYRK1ADYRK1B
SCHEMBL152537 0.81 DGAT1 (0.53) MAP2K1PIK3CAMTORMLYCD
SCHEMBL2645212 0.81 PIK3CA (0.45) PIK3CAMTORMLYCDGPR119CLK1
SCHEMBL24452660 0.81 PIK3CA (0.40) PIK3CAMTORMLYCDGPR119CLK1

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-0835252-B1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RES & DEV (IE) 2003-07-30 EP disclosed
US-6015825-A Triazole antifungal agents PFIZER INC. (US) 2000-01-18 US disclosed
WO-1997001552-A1 TRIAZOLE ANTIFUNGAL AGENTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-01-16 WO disclosed