SCHEMBL31330617

SCHEMBL31330617

Nc1c(C(=O)NC2CC2)cc(Cl)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.46
P2RX7 Q99572 1/20 0.42
SMYD3 Q9H7B4 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
S100A4 P26447 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL31656690 0.79 CFTR (0.41) KMT2AGAASMN1; SMN2KDM4EHTT
SCHEMBL25360740 0.79 CFTR (0.41) KMT2AGAASMN1; SMN2KDM4EHTT
SCHEMBL30784206 0.77 ALDH1A1 (0.48) RAB9AKMT2AGAAHPGDP2RX7
SCHEMBL535620 0.75 KDM4E (0.39) GAAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL31330687 0.75 KDM4E (0.39) GAAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL23951011 0.74 RAB9A (0.41) RAB9AKMT2AGAAHPGDALDH1A1
SCHEMBL536169 0.73 KDM4E (0.50) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL31330675 0.72 CFTR (0.40) P2RX7SMN1; SMN2
SCHEMBL662440 0.72 SMYD3 (0.51) RAB9AKMT2AGAAHPGDSMYD3
SCHEMBL30783917 0.71 KMT2A (0.50) RAB9AKMT2AHPGDSMYD3ALDH1A1

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-4720061-A1 TREM2 AGONISTS F. Hoffmann-La Roche AG (CH) 2026-04-08 EP disclosed
WO-2024246018-A1 TREM2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-05 WO disclosed