SCHEMBL31329905

SCHEMBL31329905

Nc1nc(Cl)c(Br)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
KHK P50053 1/20 0.34
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 1/20 0.32
NQO1 P15559 1/20 0.31
SCN2A Q99250 1/20 0.31
AHR P35869 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2400774 0.83 HTT (0.39) KHKHTTKMT2AGAANQO1
SCHEMBL1564745 0.81 TDP1 (0.34) KHKHTTKMT2AGAANQO1
SCHEMBL29964210 0.77 HTT (0.35) SLC9A1KHKHTTKMT2ACA1
SCHEMBL1565254 0.77 KHK (0.32) KHKHTTKMT2ACA1CA2
SCHEMBL3954054 0.77 KMT2A (0.33) KHKHTTKMT2ACA1CA2
SCHEMBL15538252 0.77 LMNA (0.41) SLC9A1HTTKMT2A
SCHEMBL30413213 0.77 KMT2A (0.33) KHKHTTKMT2ACA1CA2
SCHEMBL22246500 0.77 NOS3 (0.35) KHKHTTKMT2A
SCHEMBL22866631 0.77 KHK (0.53) KHKHTTKMT2ACA1CA2
SCHEMBL21246976 0.77 SLC9A1 (0.38) SLC9A1KHKKMT2AGAANQO1

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-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed