SCHEMBL31031257

SCHEMBL31031257

Brc1ccc2c(c1)nc1cc(Br)ccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 3/20 0.41
GAA P10253 3/20 0.41
NPM1 P06748 3/20 0.40
ALK Q9UM73 3/20 0.40
AHR P35869 2/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 2/20 0.36

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
SCHEMBL19714775 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL21623397 0.84 ALK (0.48) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL19714765 0.82 ALK (0.49) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL19714768 0.82 SLC6A2 (0.39) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL23917383 0.82 KDR (0.48) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL19735198 0.82 KDM4E (0.60) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL31031234 0.78 NPM1 (0.36) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL31031228 0.77 ALDH1A1 (0.32) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL31031218 0.77 SUV39H2 (0.34) ALDH1A1KDM4EGLAGAANPM1
SCHEMBL18838772 0.76 IKBKB (0.47) ALDH1A1KDM4EGLAGAANPM1

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-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed