SCHEMBL28031196

SCHEMBL28031196

O=C(O)Cc1nccnc1Oc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
P2RY1 P47900 3/20 0.41
HAO1 Q9UJM8 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
NR4A2 P43354 1/20 0.39
PLAU P00749 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGBL2 Q5U5Z8 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38

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
SCHEMBL28033083 0.83 KMT2A (0.44) FFAR1P2RY1HAO1KMT2AALDH1A1
SCHEMBL28030562 0.79 HAO1 (0.45) FFAR1FFAR4P2RY1HAO1PPARG
SCHEMBL28822439 0.75 CXCL8 (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2MRGPRX1
SCHEMBL28031195 0.75 P2RY1 (0.42) P2RY1HAO1KMT2AUSP2MEN1
SCHEMBL7313745 0.75 KMT2A (0.54) P2RY1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17624250 0.72 MRGPRX1 (0.50) FFAR1P2RY1KMT2AUSP2ALDH1A1
SCHEMBL5518685 0.71 RAB9A (0.60) P2RY1KMT2AUSP2MEN1ALDH1A1
SCHEMBL6136907 0.71 P2RY1 (0.46) P2RY1KMT2AUSP2MEN1ALDH1A1
SCHEMBL30748257 0.70 CXCL8 (0.61) PPARGPPARAPLAUSMN1; SMN2
SCHEMBL11447649 0.70 CXCL8 (0.61) PPARGPPARAPLAUSMN1; SMN2

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
CN-105037281-A Preparation method for 3-(3-fluorophenoxyl)pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOLOG SCIENCE & TECHNOLOGY CO LTD 2015-11-11 CN disclosed