SCHEMBL8370683

SCHEMBL8370683

COc1ccc(Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.83
KMT2A Q03164 12/20 0.83
MAPT P10636 8/20 0.83
LMNA P02545 4/20 0.83
SMN1; SMN2 Q16637 1/20 0.83
MAPK1 P28482 4/20 0.73
HTT P42858 3/20 0.73
ALDH1A1 P00352 1/20 0.73
POLB P06746 3/20 0.69
KDM4E B2RXH2 1/20 0.66
ALOX12 P18054 1/20 0.66
BLM P54132 1/20 0.66
DDX3X O00571 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
PYGL P06737 1/20 0.60
CNR1 P21554 1/20 0.58
THRB P10828 1/20 0.57
G6PD P11413 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL29367419 0.91 KMT2A (1.00) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL18825674 0.91 KMT2A (1.00) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1462371 0.83 P2RX1 (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3678982 0.83 MEN1 (0.67) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL16441842 0.83 P2RX1 (0.71) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8371782 0.82 GRIK1 (0.65) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8368364 0.82 MEN1 (0.81) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3459824 0.82 KMT2A (1.00) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6431552 0.81 GRIK1 (0.73) MEN1KMT2AMAPTHTTPOLB
SCHEMBL22092648 0.81 MAPT (0.82) MEN1KMT2AMAPTLMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910358-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1999-04-28 EP disclosed
EP-0693053-B1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH AS (DK) 1999-01-20 EP disclosed
US-5696138-A Urea derivatives and their use NEUROSEARCH A/S (DK) 1997-12-09 US disclosed
WO-1997045111-A1 PHENYL DERIVATIVES USEFUL AS BLOCKERS OF CHLORIDE CHANNELS NEUROSEARCH A/S (DK) 1997-12-04 WO disclosed
EP-0693053-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1996-01-24 EP disclosed
WO-1994022807-A1 UREA AND AMIDE DERIVATIVES AND THEIR USE IN THE CONTROL OF CELL MEMBRANE POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 1994-10-13 WO disclosed