SCHEMBL6534944

SCHEMBL6534944

CC(=O)c1[nH]c2ccc(I)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.41
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRA4 P48169 3/20 0.40
GABRA6 Q16445 3/20 0.40
CDK1 P06493 2/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
GPR17 Q13304 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
SCHEMBL21474560 0.83 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8371524 0.80 RXFP1 (0.54) MAP2GSK3BMEN1ALDH1A1KMT2A
SCHEMBL6046700 0.80 SERPINE1 (0.47) CDK1CDK2GSK3BSERPINE1MEN1
SCHEMBL5568381 0.75 KDM4E (0.53) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL30373749 0.75 KDM4E (0.53) MEN1ALDH1A1KMT2APOLBKDM4E
SCHEMBL8366173 0.72 GPR35 (0.41) MAP2GSK3BGPR17KIF11MEN1
SCHEMBL6001833 0.72 GPR17 (0.50) MAP2GABRA1GABRG2GABRB3GABRA5
SCHEMBL27385781 0.71 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16651672 0.70 MEN1 (0.50) SERPINE1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL24196988 0.69 MAP2 (0.47) MAP2GABRA1GABRG2GABRB3GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047456-A4 A METHOD AND COMPOSITION FOR CANCER TREATMENT BY ENZYMATIC CONVERSION OF SOLUBLE RADIOACTIVE TOXIC AGENTS ROSE SAMUEL (US) 2004-06-16 EP disclosed
EP-1047456-A1 A METHOD AND COMPOSITION FOR CANCER TREATMENT BY ENZYMATIC CONVERSION OF SOLUBLE RADIOACTIVE TOXIC AGENTS Rose, Samuel (US) 2000-11-02 EP disclosed
WO-1998030247-A1 A METHOD AND COMPOSITION FOR CANCER TREATMENT BY ENZYMATIC CONVERSION OF SOLUBLE RADIOACTIVE TOXIC AGENTS ROSE SAMUEL (US) 1998-07-16 WO disclosed