SCHEMBL17867403

SCHEMBL17867403

Oc1nc(O)c2cccc(O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
ACHE P22303 1/20 0.46
PARP1 P09874 8/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
METAP2 P50579 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MMP2 P08253 1/20 0.42
CHRM1 P11229 1/20 0.42
COMT P21964 1/20 0.42
ADRA1A P35348 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL25067600 0.79 CYP1A2 (0.53) CYP1A2ACHEPARP1KDM4ECYP2C9
SCHEMBL14391599 0.79 CYP1A2 (0.31) CYP1A2ACHE
SCHEMBL5756488 0.79 ELANE (0.44) CYP1A2PARP1KDM4EMAPTALDH1A1
SCHEMBL22732353 0.79 PARP1 (0.50) CYP1A2ACHEPARP1KDM4ECYP2C9
SCHEMBL558684 0.79 MAPT (0.40) CYP1A2KDM4EMAPTALDH1A1GAA
SCHEMBL15845928 0.79 NR4A2 (0.43) CYP1A2ACHEPARP1KDM4ETSHR
SCHEMBL18688164 0.75 HPRT1 (0.44) CYP1A2CYP2C9CYP2C19TSHRMAPT
SCHEMBL13313215 0.75 PARP1 (0.50) CYP1A2ACHEPARP1KDM4ECYP2C9
SCHEMBL3246366 0.75 KDM4E (0.47) CYP1A2ACHEPARP1KDM4ECYP2C9
SCHEMBL13348637 0.75 MAPK1 (0.46) CYP1A2ACHEPARP1KDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed