SCHEMBL7469724

SCHEMBL7469724

OB(O)c1cc2c(Br)cccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MGLL Q99685 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TERT O14746 2/20 0.32
CYP2C19 P33261 2/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL18305322 0.78 KDM4E (0.52) HSD17B10KDM4EMGLLTDP1MEN1
SCHEMBL16632533 0.74 MAOA (0.37) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL20839891 0.73 KDM4E (0.38) HSD17B10KDM4EMGLLTDP1CA12
SCHEMBL31070421 0.72 MEN1 (0.36) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL29208144 0.72 MEN1 (0.36) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL5035815 0.71 CYP1A1 (0.40) MEN1KMT2AF2RL3MAOAMAOB
SCHEMBL2091286 0.71 MAOA (0.35) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL30421443 0.71 AHR (0.38) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL19782520 0.71 KDM4E (0.41) HSD17B10KDM4EMGLLTDP1MAOA
SCHEMBL30189986 0.71 KDM4E (0.41) HSD17B10KDM4EMGLLTDP1MAOA

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-1214306-A1 LIQUID CRYSTAL COMPOUNDS Qinetiq Limited (GB) 2002-06-19 EP disclosed
WO-2001021606-A1 LIQUID CRYSTAL COMPOUNDS QINETIQ LIMITED (GB) 2001-03-29 WO disclosed