SCHEMBL7764568

SCHEMBL7764568

C=C(C)c1cccc2cccc(I)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
HSD17B10 Q99714 3/20 0.34
PTK2B Q14289 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL1041519 0.85 HSD17B10 (0.41) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL30226846 0.85 HSD17B10 (0.41) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL27414872 0.78 ALDH1A1 (0.44) CNR1CNR2HSD17B10PTK2BL3MBTL1
SCHEMBL1506777 0.78 MAPT (0.45) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL17813702 0.77 HSD17B10 (0.40) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL29712372 0.76 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1
SCHEMBL7765253 0.76 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1
SCHEMBL25248681 0.76 JAK2 (0.39) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL30305279 0.76 JAK2 (0.39) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD
SCHEMBL13837650 0.76 HSD17B10 (0.42) HSD17B10PTK2BL3MBTL1ALDH1A1HPGD

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
WO-2022262797-A1 COMBINATION OF AN ERK INHIBITOR AND A KRAS INHIBITOR AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-12-22 WO disclosed
WO-2001092276-A1 PREPARATION OF PHOSPHINOARYLALKENES AND POLYMERS THEREOF CYTEC TECHNOLOGY CORP. (US) 2001-12-06 WO disclosed