SCHEMBL27465447

SCHEMBL27465447

CCOC(=O)C(F)c1ccc(N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
PPID Q08752 2/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
CPB2 Q96IY4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
PDE4D Q08499 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
SCHEMBL2432552 0.82 LMNA (0.42) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL5155163 0.81 CYP1A2 (0.41) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL20708027 0.79 POLB (0.61) CYP1A2CYP3A4POLBSMN1; SMN2MEN1
SCHEMBL6166833 0.77 ALDH1A1 (0.46) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL11260308 0.76 LMNA (0.53) CYP1A2LMNACYP3A4MAOASMN1; SMN2
SCHEMBL21745741 0.75 SMN1; SMN2 (0.62) CYP1A2LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL17420464 0.72 KMT2A (0.35) CYP1A2LMNAPOLBSMN1; SMN2MEN1
SCHEMBL5700981 0.72 LMNA (0.41) CYP1A2LMNACYP3A4MAOAPOLB
SCHEMBL754777 0.71 CYP1A2 (0.56) CYP1A2LMNACYP3A4MAOAPOLB
SCHEMBL246788 0.71 KMT2A (0.50) LMNACYP3A4POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 CN disclosed