SCHEMBL933924

SCHEMBL933924

CCC(=O)NCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MKNK1 Q9BUB5 3/20 0.54
MKNK2 Q9HBH9 3/20 0.54
POLB P06746 1/20 0.53
CYP2A6 P11509 1/20 0.50
MAPT P10636 1/20 0.50
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.50
WNT3A P56704 1/20 0.50
CHRM4 P08173 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC1 Q13547 1/20 0.48
PORCN Q9H237 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL934604 0.86 EPHX2 (0.63) LMNAMAPTKMT2ACYP1A2CYP3A4
SCHEMBL2570995 0.84 LMNA (0.62) LMNAMKNK1MKNK2POLBCYP2A6
SCHEMBL31321081 0.83 MAPT (0.69) LMNAPOLBMAPTALDH1A1GAA
SCHEMBL10023 0.83 MAPT (0.69) LMNAPOLBMAPTALDH1A1GAA
SCHEMBL933899 0.83 PPID (0.58) LMNAPOLBMAPTALDH1A1GAA
SCHEMBL13652538 0.83 LMNA (0.70) LMNAALDH1A1TRPV1GAAMEN1
SCHEMBL27823146 0.82 RECQL (0.69) LMNAMKNK1MKNK2POLBCYP2A6
SCHEMBL24895800 0.79 SMN1; SMN2 (0.64) POLBMAPTALDH1A1WNT3AMEN1
SCHEMBL2334562 0.79 POLB (0.55) LMNAMKNK1MKNK2POLBCYP2A6
SCHEMBL246648 0.79 MMP13 (0.74) LMNAMKNK1MKNK2TRPV1HDAC1

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed