SCHEMBL31238696

SCHEMBL31238696

COC(=O)CCn1nc(Br)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CASP3 P42574 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KAT2B Q92831 3/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL31238698 0.75 TNF (0.49) KMT2AGAAHSD17B10KDM4EALDH1A1
SCHEMBL31238832 0.74 TNF (0.45) KMT2AGAAHSD17B10KDM4EALDH1A1
SCHEMBL24512064 0.69 KMT2A (0.42) KMT2A
SCHEMBL31696588 0.69 HPGD (0.39) KMT2ATSHRGAAMEN1SMN1; SMN2
SCHEMBL8270927 0.67 KDM4E (0.59) KMT2ATSHRGAAMEN1SMN1; SMN2
SCHEMBL21217924 0.66 KMT2A (0.36) KMT2A
SCHEMBL31176818 0.66 HPGD (0.41) KMT2ATSHRGAAMEN1CASP3
SCHEMBL15988007 0.66 KMT2A (0.48) KMT2AGAASMN1; SMN2HPGDHSD17B10
SCHEMBL22121370 0.64 KDM4E (0.44) KMT2ATSHRGAAMEN1KAT2B
SCHEMBL24928462 0.64 TSHR (0.39) KMT2ATSHRGAAMEN1SMN1; SMN2

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-4727925-A2 PROCESS FOR THE PREPARATION OF A CHIRAL PYRROLO TRIAZOLE ALCOHOL F. Hoffmann-La Roche AG (CH) 2026-04-22 EP disclosed
WO-2024260932-A2 PROCESS FOR THE PREPARATION OF A CHIRAL PYRROLO TRIAZOLE ALCOHOL F. HOFFMANN-LA ROCHE AG (CH) 2024-12-26 WO disclosed