SCHEMBL2641765

SCHEMBL2641765

[CH2]c1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.49
BRD4 O60885 2/20 0.42
CREBBP Q92793 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
TGM2 P21980 1/20 0.37
MT-CO2 P00403 1/20 0.36
NR1H3 Q13133 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL8018111 0.91 PAX8 (0.55) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL14384381 0.84 PAX8 (0.50) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL3364970 0.84 PAX8 (0.50) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL4015896 0.82 PAX8 (0.49) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL15181430 0.82 MT-CO2 (0.51) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL24448783 0.82 NPSR1 (0.58) PAX8BRD4CREBBPNPSR1RAB9A
Water SCHEMBL27760152 0.82 PAX8 (0.49) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL3368196 0.82 PAX8 (0.49) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL1817649 0.82 PAX8 (0.49) PAX8BRD4CREBBPNPSR1RAB9A
SCHEMBL25960282 0.82 PAX8 (0.49) PAX8BRD4CREBBPNPSR1RAB9A

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed