SCHEMBL4607733

SCHEMBL4607733

CC(O)C(Oc1cccc2[nH]c3ccccc3c12)N1CCN(C(=O)c2ccc(Br)s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
RECQL P46063 1/20 0.39
ADRB3 P13945 7/20 0.38
ADRB2 P07550 7/20 0.38
ADRB1 P08588 6/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DNM1 Q05193 1/20 0.36
HRH4 Q9H3N8 2/20 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
SCHEMBL4608607 0.88 ALDH1A1 (0.44) HSD17B10ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4607629 0.80 KDM4E (0.52) HPGDKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL2987310 0.80 ADRB3 (0.59) ADRB3ADRB2ADRB1ALDH1A1LMNA
SCHEMBL4606968 0.79 ADRB3 (0.42) KMT2AHSD17B10ADRB3ADRB2ADRB1
SCHEMBL4605749 0.79 TLR9 (0.49) POLBADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4608590 0.78 RAB9A (0.46) KMT2AADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4607479 0.78 PTK2 (0.45) ADRB3ADRB2ADRB1DNM1
SCHEMBL4605132 0.77 ADRB3 (0.46) KMT2AADRB3ADRB2ADRB1MAPT
SCHEMBL4608251 0.76 MITF (0.43) POLBKMT2AADRB3ALDH1A1RAB9A
SCHEMBL4607185 0.76 ADRB3 (0.46) POLBHPGDHSD17B10ADRB3ADRB2

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
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP claimed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed