SCHEMBL29328557

SCHEMBL29328557

O=C(O)CCCn1ncc2ccncc21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.63
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
PTGIR P43119 2/20 0.43
S1PR1 P21453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
TBXAS1 P24557 3/20 0.40

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
SCHEMBL22965232 0.82 KMO (0.82) KMOPDE4BPDE4DPTGIRS1PR1
SCHEMBL29972445 0.81 KMO (0.59) KMONPSR1KDM4EHSD17B10FGFR1
SCHEMBL22965255 0.81 KDM4E (0.44) KMOPDE4BPDE4DKDM4ETSHR
SCHEMBL26055397 0.78 KMO (0.39) KMOFGFR1FGFR4
SCHEMBL29972506 0.78 KMO (0.41) KMOFGFR1FGFR4
SCHEMBL29328869 0.78 FGFR1 (0.39) KMOFGFR1FGFR4
SCHEMBL8803921 0.77 SLC9A1 (0.40) KMOFGFR1FGFR4
SCHEMBL26067851 0.77 FGFR1 (0.38) KMOFGFR1FGFR4
SCHEMBL13978502 0.74 KMO (0.43) KMOKDM4ETSHRHSD17B10FGFR1
SCHEMBL7632528 0.73 NPSR1 (0.43) KMONPSR1TBXAS1

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-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed