SCHEMBL8808272

SCHEMBL8808272

Cc1cc(-c2ccc(CO)cc2)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.49
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 1/20 0.42
CHEK1 O14757 2/20 0.40
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
AXL P30530 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TNIK Q9UKE5 1/20 0.37

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
SCHEMBL28479392 0.84 NPC1 (0.50) NPC1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL27945624 0.82 NPC1 (0.49) NPC1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL21346072 0.79 TNIK (0.54) MAP2K4SMN1; SMN2MAPK1TNIK
SCHEMBL14069232 0.79 SMN1; SMN2 (0.66) NPC1MAPTRAB9ASMN1; SMN2AXL
SCHEMBL8809534 0.76 CHEK1 (0.51) NPC1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL3070625 0.76 TRPM8 (0.62) NPC1MAPTRAB9ASMN1; SMN2TRPM8
SCHEMBL4893890 0.76 RAB9A (0.57) NPC1MAPTRAB9ASMN1; SMN2TNIK
SCHEMBL13514605 0.76 SMN1; SMN2 (0.47) NPC1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL27883363 0.76 SMN1; SMN2 (0.56) NPC1MAPTRAB9AGFERSMN1; SMN2
SCHEMBL3228033 0.76 MEN1 (0.61) NPC1MAPTRAB9ASMN1; SMN2AXL

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed