SCHEMBL28033079

SCHEMBL28033079

O=C(O)c1nccnc1Oc1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CXCL8 P10145 1/20 0.45
MAPK8 P45983 1/20 0.44
GCK P35557 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PIN1 Q13526 1/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
PARP10 Q53GL7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL27569231 0.86 PARP10 (0.51) MAPTNPC1RAB9ACXCL8MAPK8
SCHEMBL8343982 0.85 CARM1 (0.52) MAPTHTR1ASLC6A2SLC6A4TRPA1
Hydrochloric Acid SCHEMBL8725899 0.80 P2RY1 (0.48) HTR1ASLC6A2SLC6A4MRGPRX1MRGPRX4
SCHEMBL28822437 0.78 MAPT (0.46) MAPTNPC1RAB9ACXCL8MAPK8
SCHEMBL28822439 0.78 CXCL8 (0.56) MAPTNPC1RAB9ACXCL8MAPK8
SCHEMBL28035897 0.78 KMT2A (0.47) KDM4EKMT2ASMN1; SMN2TRPA1PTGER4
SCHEMBL11924511 0.73 MAPK8 (0.54) MAPTNPC1RAB9ACXCL8MAPK8
SCHEMBL5523941 0.73 MAPK8 (0.57) MAPTNPC1RAB9AMAPK8HTR1A
SCHEMBL30693359 0.73 MAPK8 (0.57) MAPTNPC1RAB9AMAPK8HTR1A
SCHEMBL28030562 0.73 HAO1 (0.45) KDM4EKMT2AMRGPRX1PTGER4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104961691-A Preparation method of 3-(2-fluorophenoxy) pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-10-07 CN claimed
CN-104961691-A Preparation method of 3-(2-fluorophenoxy) pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-10-07 CN disclosed
CN-104961691-A Preparation method of 3-(2-fluorophenoxy) pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-10-07 CN disclosed
CN-104961691-A Preparation method of 3-(2-fluorophenoxy) pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOTECHNOLOGY CO LTD 2015-10-07 CN disclosed