SCHEMBL28282909

SCHEMBL28282909

Cc1cc(-c2ccccc2)[nH]n1.[CH2]C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
POLB P06746 2/20 0.57
HPGDS O60760 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TNIK Q9UKE5 1/20 0.44
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
COMT P21964 1/20 0.41
CHEK1 O14757 1/20 0.41
AKT2 P31751 1/20 0.41
MELK Q14680 1/20 0.41
SCN4A P35499 1/20 0.41

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
SCHEMBL1773863 0.96 RAB9A (0.61) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2
SCHEMBL4893890 0.92 RAB9A (0.57) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2
Boric Acid SCHEMBL8816030 0.89 RAB9A (0.53) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2
Sulfurous Acid SCHEMBL28091499 0.81 RAB9A (0.46) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2
Imidazole SCHEMBL28175008 0.80 RAB9A (0.45) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2
SCHEMBL14069232 0.79 SMN1; SMN2 (0.66) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL20465066 0.78 NOTUM (0.51) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL17279821 0.78 SMN1; SMN2 (0.42) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL3464281 0.78 PDPK1 (0.47) RAB9APOLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL19625265 0.77 RAB9A (0.53) RAB9APOLBHPGDSL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415482-A Aqueous polyurethane resin combination 株式会社艾迪科 2019-03-01 CN disclosed