SCHEMBL29442425

SCHEMBL29442425

Cc1cc(N2CCC(NCc3cccc(-n4cccc4)c3)CC2)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.49
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
HRH3 Q9Y5N1 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
POLB P06746 1/20 0.42
VCP P55072 2/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL26346212 1.00 HRH4 (0.49) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL29442399 0.90 HRH4 (0.45) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL26346218 0.90 HRH4 (0.45) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL20681703 0.89 SMN1; SMN2 (0.52) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL29442441 0.89 SMN1; SMN2 (0.52) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL26346198 0.88 SMN1; SMN2 (0.54) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL26346468 0.87 HRH4 (0.53) HRH4MAPTGFERHRH3POLB
SCHEMBL29442385 0.87 HRH4 (0.46) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL26346217 0.87 HRH4 (0.46) HRH4MAPTGFERHRH3SMN1; SMN2
SCHEMBL20692326 0.86 HRH4 (0.56) HRH4MAPTGFERHRH3SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022046999-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-03-03 WO disclosed