SCHEMBL8936178

SCHEMBL8936178

O=c1cc(CBr)c2ccc(I)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35

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
SCHEMBL4118331 0.80 TNKS2 (0.46) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8936191 0.78 GRIN2D (0.39) GPR17GAAKDM4EALDH1A1HPGD
SCHEMBL29770446 0.77 ALDH1A1 (0.59) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL4045859 0.77 ALDH1A1 (0.59) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL13264599 0.75 KDM4E (0.62) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL8936072 0.73 SMN1; SMN2 (0.38) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4112701 0.72 GPR84 (0.42) KDM4ESMN1; SMN2GLATP53TNKS2
SCHEMBL8936160 0.72 GRIN2D (0.43) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29792700 0.71 LMNA (0.47) ALDH1A1HPGDNPSR1SMN1; SMN2KMT2A
SCHEMBL13326518 0.71 LMNA (0.47) ALDH1A1HPGDNPSR1SMN1; SMN2KMT2A

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-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed