SCHEMBL6455079

SCHEMBL6455079

[CH2]C(=O)Nc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
TSHR P16473 1/20 0.61
HPGD P15428 1/20 0.61
GFER P55789 1/20 0.57
GAA P10253 1/20 0.54
MTOR P42345 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 1/20 0.53
KCNK3 O14649 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL30851500 0.83 RAB9A (0.79) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL27193042 0.83 RAB9A (0.79) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL2090934 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL30130671 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL2090931 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL28638736 0.81 GAA (0.73) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL167713 0.80 MEN1 (0.67) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL687148 0.80 GAA (0.68) MEN1KMT2ARAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL11459054 0.80 MEN1 (0.67) MEN1KMT2ARAB9ANPC1TSHR
SCHEMBL2796800 0.80 MEN1 (0.67) MEN1KMT2ARAB9ANPC1TSHR

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-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 WO disclosed