SCHEMBL11536604

SCHEMBL11536604

Oc1ccc2ccccc2c1C(c1ccc(I)cc1)c1c(O)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
MDM2 Q00987 1/20 0.41
USP2 O75604 1/20 0.41
PAK1 Q13153 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 4/20 0.40

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
SCHEMBL9423470 0.86 AHR (0.52) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9423648 0.86 MEN1 (0.56) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL30738449 0.86 MEN1 (0.56) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL17787304 0.83 MEN1 (0.58) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL11534689 0.83 AHR (0.50) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL11539885 0.83 AHR (0.53) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL11536163 0.83 AHR (0.53) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL11537513 0.81 NQO1 (0.54) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9423782 0.81 AHR (0.48) AHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL11538846 0.80 AHR (0.47) AHRMEN1KMT2AALDH1A1KDM4E

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-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US claimed
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US disclosed