SCHEMBL21559977

SCHEMBL21559977

CCc1cccc(Cl)c1/C=N/C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SLC22A1 O15245 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL21939632 0.82 SLC22A1 (0.50) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL320332 0.79 ALDH1A1 (0.64) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL26028903 0.79 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL954101 0.78 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL19880549 0.77 KMT2A (0.45) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL24398979 0.75 GABRA1 (0.36) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL13480295 0.75 NPSR1 (0.53) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL21205734 0.74 GABRA1 (0.42) GABRA1GABRB2ALDH1A1MEN1KMT2A
SCHEMBL21538100 0.74 POLB (0.47) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL11745960 0.71 GABRA1 (0.46) GABRA1GABRB2ALDH1A1MEN1KMT2A

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-2019215470-A1 USE OF GUANABENZ OR DERIVATES THEREOF FOR THE TREATMENT OF TYPE I IFN-DEPENDENT PATHOLOGIES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-11-14 WO disclosed