SCHEMBL7993193

SCHEMBL7993193

C=CCCC(=O)NCc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
CYP3A4 P08684 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
FAAH O00519 2/20 0.60
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KMT2A Q03164 2/20 0.59
USP2 O75604 1/20 0.58
RECQL P46063 1/20 0.57
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL16610098 0.86 MAPT (0.84) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL8234001 0.82 CYP3A4 (0.81) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL7990865 0.82 GAA (0.66) CYP3A4CYP2C19FAAHHTTKMT2A
SCHEMBL16353842 0.81 CYP3A4 (0.76) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2433131 0.81 MAPT (0.75) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11478877 0.81 MAPT (0.75) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2698429 0.80 MAPT (0.69) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4067164 0.79 CYP3A4 (1.00) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL28851928 0.79 MAPT (0.83) MAPTCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL31321074 0.79 USP2 (0.68) MAPTCYP3A4CYP1A2CYP2C9CYP2C19

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-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed