SCHEMBL288235

SCHEMBL288235

Nc1nc(Cc2cccc(O)c2)nc2[nH]cnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.51
ADORA2A P29274 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
DHFR P00374 1/20 0.47
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
ADORA2B P29275 2/20 0.39
BRAF P15056 2/20 0.38
HTR1B P28222 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL28320167 0.85 MPO (0.43) ADORA1ADORA2AADORA3ADORA2BBRAF
SCHEMBL448638 0.85 CDC7 (0.37) ADORA1ADORA2AADORA3CYP1A2CYP3A4
SCHEMBL217337 0.84 ADORA1 (0.47) ADORA1ADORA2AADORA3CYP1A2CYP3A4
SCHEMBL288236 0.80 BRAF (0.48) ADORA1ADORA2AADORA3DHFRCYP1A2
SCHEMBL6939911 0.80 DHFR (0.47) ADORA1ADORA2AADORA3DHFRCYP1A2
SCHEMBL13268694 0.77 CALM1 (0.43) DHFRCYP3A4NFKB1MAPK1LMNA
SCHEMBL28320162 0.76 HTR6 (0.38) ADORA1ADORA2ADHFRCYP1A2CYP3A4
SCHEMBL7834202 0.75 MPO (0.45) ALOX15KMT2AMAPT
SCHEMBL11583361 0.75 TAAR1 (0.40) ADORA1LMNAPRKD3ABL1CSNK1A1
Edetic Acid SCHEMBL7770892 0.74 ADORA1 (0.37) ADORA1ADORA2AADORA3DHFRCYP1A2

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
US-11751573-B2 Seaweed composition PORT LOUIS BERNARD (SC) 2023-09-12 US disclosed
US-20200337315-A1 SEAWEED COMPOSITION PORT LOUIS BERNARD (SC) 2020-10-29 US disclosed
US-20120137390-A1 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ARBORGEN INC. 2012-05-31 US disclosed
EP-2427047-A2 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ArborGen Inc. (US) 2012-03-14 EP disclosed
WO-2010129737-A2 MATERIALS AND METHODS FOR REGENERATION AND TRANSFORMATION OF TREES ARBORGEN, LLC (US) 2010-11-11 WO disclosed