SCHEMBL7965208

SCHEMBL7965208

O=C1OC(c2ccc(Br)cc2)CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 4/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL7976878 0.87 ALDH1A1 (0.42) MEN1KMT2APOLBLMNARECQL
SCHEMBL7978624 0.75 SMN1; SMN2 (0.37) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL85535 0.71 MEN1 (0.64) MEN1KMT2APOLBLMNARECQL
SCHEMBL12679302 0.70 TSHR (0.45) MEN1KMT2AMAPT
SCHEMBL8715237 0.69 CYP2C9 (0.47) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7614274 0.69 CYP2C9 (0.38) MEN1KMT2APOLBLMNAMAPT
SCHEMBL19025562 0.69 MEN1 (0.62) MEN1KMT2APOLBLMNARECQL
Fluoride SCHEMBL27503363 0.69 MEN1 (0.62) MEN1KMT2APOLBLMNARECQL
SCHEMBL1583098 0.68 TSHR (0.46) MEN1KMT2APOLBLMNARECQL
SCHEMBL1022578 0.68 TSHR (0.46) MEN1KMT2APOLBLMNARECQL

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-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO claimed
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed