SCHEMBL8351667

SCHEMBL8351667

C=C(/C=C/CN(C)C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ EGFR P00533 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIP4K2A P48426 2/20 0.39
▸ PIP4K2B P78356 2/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ TAS2R38 P59533 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL24021481 0.86 POLB (0.46) EGFRSMN1; SMN2PIP4K2APIP4K2BTGM2
SCHEMBL13389249 0.83 EGFR (0.55) EGFRJAK3ITKSMN1; SMN2PIP4K2A
SCHEMBL23336395 0.82 PIP4K2A (0.36) KDM4EEGFRJAK3ITKSMN1; SMN2
SCHEMBL19450424 0.79 TGM2 (0.42) KDM4ESMN1; SMN2TGM2NPC1RAB9A
SCHEMBL14016448 0.75 TGM2 (0.45) KDM4ECYP1A2EGFRSMN1; SMN2TGM2
SCHEMBL21414659 0.73 TGM2 (0.48) KDM4ECYP1A2EGFRSMN1; SMN2TGM2
SCHEMBL23997975 0.72 KDM4E (0.36) KDM4E
SCHEMBL12942208 0.72 EGFR (0.46) KDM4ECYP1A2EGFRSMN1; SMN2TAS2R38
SCHEMBL21944495 0.70 MAOB (0.42) KDM4EEGFRSMN1; SMN2TGM2NPC1
SCHEMBL22700707 0.70 TGM2 (0.46) KDM4ECYP1A2EGFRSMN1; SMN2TGM2

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-2003020266-A1 ANTINEOPLASTIC COMBINATIONS WYETH (US) 2003-03-13 — — WO disclosed
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