SCHEMBL8326418

SCHEMBL8326418

COC(=O)c1ccc(C#N)c(C#N)c1.COC(=O)c1ccc(C#N)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 2/20 0.38
RORC P51449 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
PDK2 Q15119 2/20 0.37
PLA2G7 Q13093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL8142488 0.96 NOTUM (0.46) NOTUMMAPTALDH1A1HPGDCYP2C9
SCHEMBL402630 0.94 NOTUM (0.43) NOTUMMAPTALDH1A1HPGDCYP2C9
SCHEMBL8149043 0.87 PTGS2 (0.47) NOTUMKMT2APDK2AR
SCHEMBL6965305 0.81 ALDH1A1 (0.43) MAPTALDH1A1HPGDCYP2C9PLA2G7
SCHEMBL338554 0.81 SMN1; SMN2 (0.46) MAPTALDH1A1HPGDKDM4ECA12
SCHEMBL31238876 0.81 MAPT (0.57) NOTUMMAPTALDH1A1CYP2C9KMT2A
SCHEMBL3909726 0.81 ALDH1A1 (0.51) ALDH1A1HPGDPLA2G7CA12CA1
SCHEMBL2934710 0.81 MAPT (0.57) NOTUMMAPTALDH1A1CYP2C9KMT2A
SCHEMBL31336381 0.81 MAPT (0.57) NOTUMMAPTALDH1A1HPGDCYP2C9
SCHEMBL4580602 0.81 MAPT (0.57) NOTUMMAPTALDH1A1HPGDCYP2C9

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-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed