SCHEMBL9400583

SCHEMBL9400583

CCCn1ccc2cc(NC(=O)Nc3cccnc3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
MAPT P10636 4/20 0.73
TP53 P04637 4/20 0.73
KDM4E B2RXH2 2/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C19 P33261 1/20 0.73
HTR2B P41595 1/20 0.73
RECQL P46063 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
HTR2C P28335 1/20 0.72
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52

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
Oxalic Acid SCHEMBL9400518 0.97 MEN1 (0.69) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL17330341 0.86 MEN1 (0.69) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL29391435 0.85 MAPT (1.00) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL29729330 0.85 MAPT (1.00) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL173735 0.85 MAPT (1.00) MEN1KMT2AMAPTTP53KDM4E
Hydrochloric Acid SCHEMBL2116886 0.84 HTR2C (1.00) MEN1KMT2AMAPTTP53KDM4E
Hydrochloric Acid SCHEMBL31077673 0.84 HTR2C (1.00) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL9400523 0.79 MAPT (0.47) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL9400617 0.78 MEN1 (0.82) MEN1KMT2AMAPTTP53KDM4E
Hydrochloric Acid SCHEMBL9400545 0.77 HTR2C (0.82) MEN1KMT2AMAPTTP53KDM4E

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
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US claimed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO claimed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO claimed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP claimed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 WO claimed
WO-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 WO disclosed