SCHEMBL26201352

SCHEMBL26201352

O=c1c2ncccc2ncn1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ACVR1 Q04771 1/20 0.35
PIK3CD O00329 1/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 3/20 0.34
HSP90AA1 P07900 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP7 Q93009 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 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
SCHEMBL10328337 0.78 ACVR1 (0.50) POLBBRD4ALDH1A1ACVR1KDM4E
SCHEMBL1186947 0.78 KDM4E (0.38) BRD4ALDH1A1ACVR1KDM4EMAPT
SCHEMBL30390462 0.78 KDM4E (0.38) BRD4ALDH1A1ACVR1KDM4EMAPT
SCHEMBL14867106 0.74 PDE4A (0.45) ALDH1A1ACVR1PIK3CDKDM4ESMN1; SMN2
SCHEMBL14867109 0.74 ACVR1 (0.35) POLBALDH1A1ACVR1PIK3CDMAPT
SCHEMBL16181504 0.73 KDM4E (0.54) POLBKDM4ESMN1; SMN2CYP2D6TSHR
SCHEMBL18726784 0.72 TP53 (0.41) POLBALDH1A1KDM4EMAPTTP53
SCHEMBL30339621 0.72 TP53 (0.41) POLBALDH1A1KDM4EMAPTTP53
SCHEMBL21895406 0.72 IDO1 (0.40) BRD4KDM4EMAPTLMNAIDO1
SCHEMBL27277552 0.70 LMNA (0.48) ALDH1A1KDM4EMAPTHSP90AA1SMN1; 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
EP-3835290-B1 OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2023-09-06 EP disclosed