SCHEMBL8803930

SCHEMBL8803930

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ HCRTR1 O43613 1/20 0.58
▸ NPBWR1 P48145 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49
▸ TNF P01375 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL8805630 0.81 NMBR (0.60) LMNAMAPT
SCHEMBL8806726 0.81 TNF (0.62) TNFSMN1; SMN2USP2LMNACYP1A2
SCHEMBL8806139 0.81 TNF (0.55) TNFSMN1; SMN2USP2LMNACYP1A2
SCHEMBL8805849 0.80 TNF (0.59) TNFSMN1; SMN2USP2LMNACYP1A2
SCHEMBL8648394 0.79 TNF (0.61) TNFSMN1; SMN2USP2LMNACYP1A2
SCHEMBL18256021 0.78 CHIT1 (0.54) KMT2ATNFSMN1; SMN2USP2LMNA
SCHEMBL10942408 0.78 KMT2A (0.79) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL8803041 0.77 TNF (0.62) TNFSMN1; SMN2USP2LMNACYP1A2
SCHEMBL21001157 0.77 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL16621132 0.77 KMT2A (0.80) KMT2AMEN1HCRTR1NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746557-A4 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS INC (US) 1997-05-02 — — EP disclosed
EP-0746557-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1996-12-11 — — EP disclosed
WO-1995022546-A1 INTRACELLULAR SIGNALLING MEDIATORS CELL THERAPEUTICS, INC. (US) 1995-08-24 — — WO disclosed
Send feedback