SCHEMBL9616073

SCHEMBL9616073

c1ccc(CCNc2cnnc3ccccc23)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ACP1 P24666 1/20 0.52
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
GBA1 P04062 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
FERMT2 Q96AC1 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APP P05067 2/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL4912943 0.74 NCF1 (0.59) ACP1HTR1AADRA1DADRA1AADRA1B
SCHEMBL17803699 0.72 HTT (0.67) CYP1A2GBA1ALDH1A1LMNARAB9A
SCHEMBL29236612 0.71 CYP1A2 (0.70) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL29736848 0.71 CYP1A2 (0.60) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL3993461 0.71 CYP1A2 (0.60) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL7512679 0.70 CYP1A2 (0.51) CYP1A2ACP1HTR1AADRA1DADRA1A
SCHEMBL31705591 0.70 CYP1A2 (0.68) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL27513658 0.70 CYP1A2 (1.00) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL3826771 0.70 CYP1A2 (0.68) CYP1A2HRH3ALDH1A1LMNATAAR1
SCHEMBL17799807 0.69 APP (0.68) CYP1A2ACP1GBA1ALDH1A1LMNA

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
JP-4187677-A None JP disclosed
JP-H04187677-A CINNOLINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HOKKO CHEM IND CO LTD 1992-07-06 JP disclosed