SCHEMBL7708941

SCHEMBL7708941

Cc1cncn1C/C(=C/c1cccc(C(=O)O)c1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
ENPP2 Q13822 1/20 0.38
CYP19A1 P11511 2/20 0.37
UNG P13051 1/20 0.36
MYC P01106 3/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
NR4A2 P43354 1/20 0.35
P4HB P07237 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
APEX1 P27695 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TBXA2R P21731 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL7708946 1.00 TTR (0.39) TTRENPP2CYP19A1UNGMYC
SCHEMBL7241306 0.82 MEN1 (0.35) CYP19A1MYCPTGS1PTGS2MEN1
SCHEMBL7241309 0.82 MEN1 (0.35) CYP19A1MYCPTGS1PTGS2MEN1
SCHEMBL7709322 0.81 CA2 (0.39) HPGDMRGPRX4KDM4E
SCHEMBL7703338 0.81 FNTA (0.48) USP2ALDH1A1ALOX15
SCHEMBL7703335 0.81 FNTA (0.48) USP2ALDH1A1ALOX15
SCHEMBL7709317 0.81 CA2 (0.39) HPGDMRGPRX4KDM4E
SCHEMBL8227733 0.80 KMT2A (0.33) PTGS1PTGS2KMT2AL3MBTL1MAPT
SCHEMBL7708970 0.79 CYP19A1 (0.47) CYP19A1POLBTDP1L3MBTL1TBXAS1
SCHEMBL7245883 0.79 CYP19A1 (0.47) CYP19A1POLBTDP1L3MBTL1TBXAS1

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
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed