SCHEMBL11326164

SCHEMBL11326164

O=[N+]([O-])c1nc2ccccc2c2ccnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 10/20 0.39
MEN1 O00255 9/20 0.39
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39
C1R P00736 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 2/20 0.38
RAB9A P51151 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
SCHEMBL9138426 0.72 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10099727 0.72 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL362986 0.72 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9258182 0.69 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16863653 0.68 TDP1 (0.43) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL28382068 0.66 ALDH1A1 (0.59) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL18152750 0.66 ALDH1A1 (0.46) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL8028315 0.66 ALDH1A1 (0.46) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL6403064 0.66 NOS2 (0.52) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL20291524 0.65 CYP3A4 (0.61) ALDH1A1HTTKMT2AMEN1MAPT

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
US-4303660-A ANALGESICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-12-01 US claimed
US-4303660-A ANALGESICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-12-01 US disclosed