SCHEMBL31589340

SCHEMBL31589340

Cc1cccc(C)c1-n1cccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
ELANE P08246 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL17068994 0.87 HCRTR1 (0.40) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL1836275 0.87 CD44 (0.41) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL2170098 0.82 TSHR (0.44) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL28927281 0.82 NOTUM (0.39) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL1586230 0.81 ELANE (0.49) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL18292173 0.81 ALDH1A1 (0.44) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL31668462 0.80 GRM5 (0.40) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL11281747 0.78 MAPK1 (0.53) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL18755104 0.78 ALDH1A1 (0.41) MAPK1NPC1NOTUMMAPTKMT2A
SCHEMBL29417843 0.77 MAPK1 (0.56) MAPK1NPC1NOTUMMAPTKMT2A

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
CN-120040505-A Phosphorus phenol ligand, phosphorus phenol complex, preparation method and application thereof, and ethylene polymerization method 南开大学 2025-05-27 CN claimed
CN-120040505-A Phosphorus phenol ligand, phosphorus phenol complex, preparation method and application thereof, and ethylene polymerization method 南开大学 2025-05-27 CN disclosed