SCHEMBL26046313

SCHEMBL26046313

Cc1ccnc(N2CCC(C3CNC3)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.44
HCRTR2 O43614 3/20 0.43
POLB P06746 2/20 0.43
HCRTR1 O43613 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL26201767 1.00 KDM4E (0.46) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL26046517 0.88 HCRTR2 (0.52) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL1672249 0.87 HCRTR2 (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL26046309 0.84 HRH4 (0.47) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30556658 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30556681 0.79 HCRTR2 (0.49) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL17151435 0.78 DYRK1A (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29118006 0.77 ROCK2 (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29118005 0.77 ROCK2 (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29118052 0.77 ROCK2 (0.50) KDM4EALDH1A1HSD17B10TSHRHPGD

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-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed