SCHEMBL5559394

SCHEMBL5559394

CCc1nc(N)nc(N(CC)CC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.43
HRH4 Q9H3N8 1/20 0.40
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 2/20 0.36
SLC29A1 Q99808 1/20 0.35
USP2 O75604 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRA P18433 1/20 0.34
PTPN11 Q06124 1/20 0.34
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2338559 0.84 MAPT (0.66) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL2339204 0.84 MAPT (0.60) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL2623090 0.84 TDP1 (0.46) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL2623089 0.84 TSHR (0.52) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL11640056 0.81 MAPT (0.46) MAPTALDH1A1HRH4TSHRTDP1
SCHEMBL19129811 0.81 TSHR (0.50) MAPTALDH1A1HRH4TSHRKMT2A
SCHEMBL571574 0.79 MAPT (0.51) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL27361146 0.77 TDP1 (0.41) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL4244587 0.77 MAPT (0.53) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL125904 0.77 CASP1 (0.52) ALDH1A1HRH4TSHRTDP1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
CN-112955011-B Compositions comprising pyridine carboxylic acid herbicides with photosystem II and optionally HPPD inhibitor herbicides 科迪华农业科技有限责任公司 2023-06-02 CN disclosed
CN-112955011-A Compositions comprising a carboxypyridine herbicide in combination with a photosystem II and optionally an HPPD inhibitor herbicide 科迪华农业科技有限责任公司 2021-06-11 CN disclosed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO disclosed
US-20070207928-A1 Oil-in-water suspoemulsions comprising hydroxybenzonitriles which are active in plants BAYER CROPSCIENCE GMBH (DE) 2007-09-06 US disclosed