SCHEMBL9695569

SCHEMBL9695569

Fc1ccc(Cn2[c]nc3cccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
KAT2B Q92831 1/20 0.41
LMNA P02545 2/20 0.41
ENPP2 Q13822 6/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 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
SCHEMBL7833447 0.86 TBXA2R (0.44) TP53KDM4EMAPTKAT2BLMNA
SCHEMBL7832090 0.86 L3MBTL1 (0.44) TP53HTR3EHTR3BHTR1AHTR2C
SCHEMBL7835831 0.84 CYP11B1 (0.46) TP53CYP1A2CYP2C19KDM4ELMNA
SCHEMBL7834654 0.78 HTT (0.49) CYP2C19KDM4EMAPTLMNAMEN1
SCHEMBL1650533 0.78 RAB9A (0.48) TP53HTR3EHTR3BHTR1AHTR2C
SCHEMBL7833661 0.76 PDE10A (0.37) TP53LMNAMEN1PABPC1KMT2A
SCHEMBL30932218 0.74 TP53 (0.66) TP53HTR3EHTR3BHTR1AHTR2C
SCHEMBL9696462 0.74 TP53 (0.66) TP53HTR3EHTR3BHTR1AHTR2C
SCHEMBL17966778 0.72 TP53 (0.54) TP53MAPTLMNAENPP2RXFP1
SCHEMBL15654857 0.71 TP53 (0.33) TP53KDM4EENPP2MEN1PABPC1

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-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed