SCHEMBL24728835

SCHEMBL24728835

C[C@@H](c1nccnc1-c1cnccn1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.40
P2RX7 Q99572 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CASP3 P42574 1/20 0.34
TSHR P16473 2/20 0.34
DCTPP1 Q9H773 1/20 0.34
USP1 O94782 2/20 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
SCHEMBL24729152 1.00 ALOX15 (0.41) ALOX15LMNAP2RX7SMN1; SMN2TP53
SCHEMBL31087599 1.00 ALOX15 (0.41) ALOX15LMNAP2RX7SMN1; SMN2TP53
SCHEMBL31087595 1.00 ALOX15 (0.41) ALOX15LMNAP2RX7SMN1; SMN2TP53
SCHEMBL23212709 0.86 LMNA (0.42) LMNAALDH1A1TDP1
SCHEMBL30738525 0.84 LMNA (0.38) ALOX15LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL30069472 0.84 LMNA (0.35) ALOX15LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL24728672 0.84 LMNA (0.35) ALOX15LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL24728677 0.84 LMNA (0.38) ALOX15LMNASMN1; SMN2TP53ALDH1A1
SCHEMBL24728809 0.82 HPGD (0.34) ALOX15LMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL30738527 0.82 HPGD (0.34) ALOX15LMNASMN1; SMN2ALDH1A1TDP1

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
WO-2022258481-A1 PESTICIDALLY ACTIVE DIAZINE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-12-15 WO disclosed