SCHEMBL31337313

SCHEMBL31337313

Cc1cc(-c2nnco2)cc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
NOTUM Q6P988 11/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL31337357 0.78 QPCT (0.41) MEN1KMT2ABRD4
SCHEMBL2396733 0.73 QPCT (0.55) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL12382632 0.71 TSHR (0.41) TSHRNOTUMMAPTALDH1A1KDM4E
SCHEMBL12385418 0.70 MEN1 (0.44) TSHRMAPTALDH1A1KDM4EHTT
SCHEMBL2396669 0.70 ALDH1A1 (0.45) NOTUMALDH1A1KDM4ELMNAHPGD
SCHEMBL3859120 0.68 PARP1 (0.56) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL16982635 0.68 NOTUM (0.64) TSHRNOTUMMAPTALDH1A1KDM4E
SCHEMBL16258580 0.67 NOTUM (0.63) TSHRNOTUMMAPTALDH1A1KDM4E
SCHEMBL12113051 0.65 MEN1 (0.44) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL13898339 0.65 MEN1 (0.44) MAPTALDH1A1HTTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747241-A1 BENZIMIDAZOLE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-05-27 EP disclosed
WO-2025021537-A1 BENZIMIDAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 WO disclosed