SCHEMBL27601029

SCHEMBL27601029

O=CC(CBr)c1cc(Cl)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 7/20 0.39
ALOX15 P16050 4/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
ALOX12 P18054 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL27799790 0.83 TDP1 (0.37) ERN1MEN1KMT2AMAPTHTT
SCHEMBL28758196 0.81 PSEN1 (0.33) ERN1TDP1PPARG
SCHEMBL27624261 0.80 CYP3A4 (0.36) MAPTLMNACYP3A4SMN1; SMN2IDO1
SCHEMBL27848914 0.80 CA3 (0.34) ERN1MEN1KMT2AMAPTHTT
SCHEMBL28247019 0.79 LMNA (0.43) MEN1KMT2AHTTALOX15LMNA
SCHEMBL27893496 0.75 TSHR (0.42) MAPTHPGDALOX15LMNACYP3A4
SCHEMBL5217971 0.75 ERN1 (0.50) ERN1MEN1KMT2AMAPTHTT
SCHEMBL27562053 0.75 CA1 (0.42) ERN1MEN1KMT2AMAPTHTT
SCHEMBL7519487 0.74 KMT2A (0.51) ERN1MEN1KMT2AMAPTHTT
SCHEMBL27643654 0.73 ANO1 (0.34) TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed