SCHEMBL6685699

SCHEMBL6685699

CC(=O)N1CCc2c1ccc(C)c2O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.64
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL6272047 0.80 NOTUM (0.59) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL2619231 0.78 NOTUM (1.00) NOTUMMAPT
SCHEMBL6688366 0.76 NOTUM (0.55) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL6946139 0.76 NOTUM (0.55) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL16213753 0.75 NOTUM (0.65) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL3300297 0.75 NOTUM (0.71) NOTUM
SCHEMBL18176101 0.73 NOTUM (0.67) NOTUMMAPTPKMCYP11B1CYP11B2
SCHEMBL1761149 0.71 NOTUM (0.61) NOTUMNPC1TP53MAPTRAB9A
SCHEMBL6687673 0.71 NOTUM (0.71) NOTUM
SCHEMBL4532424 0.71 NOTUM (0.71) NOTUM

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
WO-2004085394-A1 7-NITROINDOLINE DERIVATIVES AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2004-10-07 WO disclosed