SCHEMBL7477785

SCHEMBL7477785

O=C1C(Br)CCc2nc3ccccc3n21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
STAT3 P40763 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
OPRL1 P41146 3/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
MAPT P10636 2/20 0.36
OGFRL1 Q5TC84 4/20 0.35
ALOX15 P16050 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
Bromide SCHEMBL8073581 0.98 LMNA (0.41) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL9255441 0.74 ALDH1A1 (0.53) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL7484548 0.71 ALDH1A1 (0.50) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL17910548 0.66 ALDH1A1 (0.47) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL22045617 0.66 CYP19A1 (0.39) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL22801901 0.65 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL9261907 0.65 SMN1; SMN2 (0.43) LMNAALDH1A1KMT2ASMN1; SMN2OPRM1
SCHEMBL18148654 0.65 CYP11B2 (0.39) LMNAALDH1A1KMT2ASMN1; SMN2OPRM1
SCHEMBL5800826 0.65 TP53 (0.42) LMNAALDH1A1KMT2ASMN1; SMN2OPRM1
SCHEMBL8808783 0.64 GRM2 (0.52) KMT2AHPGDRAB9ASMN1; SMN2MAPT

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-0843681-B1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO LTD (KR) 2002-03-06 EP disclosed
EP-0843681-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP disclosed
WO-1997003076-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 WO disclosed