SCHEMBL4944664

SCHEMBL4944664

CC(=O)Oc1nccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 1/20 0.33
ABCB11 O95342 2/20 0.33
ESR1 P03372 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
STAT6 P42226 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CHRNB2 P17787 1/20 0.32

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
SCHEMBL18398770 0.81 LMNA (0.39) KDM4ELMNASMN1; SMN2CYP2C9CHRNB2
SCHEMBL11253057 0.81 CHRNB2 (0.36) LMNASMN1; SMN2CHRNB2CHRNA4POLB
SCHEMBL7994968 0.80 ATR (0.34) KDM4ETDP1LMNASMN1; SMN2TSHR
SCHEMBL28711249 0.79 RAB9A (0.36) LMNASMN1; SMN2TSHRADRA1ACHRNB2
SCHEMBL22583086 0.79 ALDH1A1 (0.39) KDM4ELMNASMN1; SMN2ALOX5TSHR
SCHEMBL4535342 0.78 CHRNB2 (0.34) KDM4ETDP1LMNASMN1; SMN2CYP2C9
SCHEMBL28018125 0.77 TNFSF11 (0.38) KDM4ECYP3A4TDP1ALOX12LMNA
SCHEMBL28007567 0.77 LMNA (0.34) KDM4ECYP3A4TDP1ALOX12LMNA
SCHEMBL27887045 0.77 LMNA (0.39) KDM4ECYP3A4TDP1ALOX12LMNA
SCHEMBL27746548 0.76 ALDH1A1 (0.38) KDM4ECYP3A4TDP1LMNACYP2C9

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 5 patents. 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
CN-105017166-A Preparation method of 3-(3-bromine phenoxy) pyrazine-2-carboxylic acid CHANGSHA SHENCHENG BIOLOG TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104961690-A Preparation method of 3-(4-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
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed