SCHEMBL27508330

SCHEMBL27508330

Cc1c(C(=O)O)cccc1C(=O)O.O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 1/20 0.54
CYP19A1 P11511 6/20 0.53
CTSV O60911 4/20 0.53
CTSL P07711 4/20 0.53
PTGER1 P34995 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
S1PR4 O95977 1/20 0.46

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
SCHEMBL371744 0.86 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL1319458 0.81 CTSV (0.63) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL1647948 0.79 CYP19A1 (0.64) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL26621356 0.78 CYP19A1 (0.53) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL30152254 0.78 MEN1 (0.51) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL3366592 0.78 MEN1 (0.51) MEN1KMT2AMAPTCYP19A1ALDH1A1
Nitrobenzene SCHEMBL28085437 0.77 PTGER1 (0.50) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL1162221 0.77 PTGER1 (0.54) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL5839822 0.77 KMT2A (0.74) MEN1KMT2ACYP19A1CTSVCTSL
SCHEMBL8808139 0.76 MEN1 (0.69) MEN1KMT2AMAPTCYP19A1CTSV

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
CN-1167422-C Quinazoline derivatives as angiogenesis inhibitors 2004-09-22 CN disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 CN disclosed