SCHEMBL27364031

SCHEMBL27364031

c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5cc6c7ccccc7c7ccccc7c6cc5-n5c6ccccc6c6cc7ccccc7cc65)cc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
TSHR P16473 5/20 0.35
HPGD P15428 2/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPT P10636 11/20 0.34
LMNA P02545 5/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
NPSR1 Q6W5P4 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL27364027 0.94 ALDH1A1 (0.36) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364008 0.94 PIM1 (0.38) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364032 0.90 ALDH1A1 (0.34) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364033 0.90 ALDH1A1 (0.34) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364029 0.90 PIM1 (0.35) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364003 0.88 PIM1 (0.39) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL31277820 0.88 ALDH1A1 (0.37) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364034 0.88 ALDH1A1 (0.36) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364142 0.87 PIM1 (0.40) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL27364099 0.87 ALDH1A1 (0.36) ALDH1A1TSHRHPGDPIM1CSNK2A2

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
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed