SCHEMBL29112221

SCHEMBL29112221

Clc1cncc(N=C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
HCAR2 Q8TDS4 1/20 0.42
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
TET2 Q6N021 1/20 0.37
TET1 Q8NFU7 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
PLAU P00749 1/20 0.36
GRIN2D O15399 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
SCHEMBL15542419 0.76 ESR1 (0.50) ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL30042841 0.76 ESR1 (0.39) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL13297359 0.76 ESR1 (0.39) ESR1ESR2KMT2A
SCHEMBL12984299 0.76 ESR1 (0.39) ESR1ESR2KMT2ASMN1; SMN2KDM4E
SCHEMBL13316439 0.76 ESR1 (0.39) ESR1ESR2SMN1; SMN2PLAU
SCHEMBL23540686 0.76 ESR1 (0.39) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL30015180 0.74 ESR1 (0.38) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL23540714 0.74 ESR1 (0.38) ESR1ESR2KMT2ASMN1; SMN2
SCHEMBL8444206 0.74 TRPA1 (0.39) HCAR2KMT2AKDM4EPLAUGRIN2D
SCHEMBL14797873 0.74 ESR1 (0.35) ESR1ESR2KMT2ASMN1; SMN2KDM4E

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
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed