SCHEMBL9544360

SCHEMBL9544360

Cn1ccc2cc(NC(=O)Nc3cccnc3Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
HTR2B P41595 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TP53 P04637 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
RECQL P46063 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HTR2C P28335 5/20 0.64
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP2C9 P11712 1/20 0.54

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
Hydrochloric Acid SCHEMBL9400672 0.99 HTR2C (0.65) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL8944931 0.85 MEN1 (0.64) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL8944851 0.84 HTR2C (0.86) MAPTHTR2BMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL8944881 0.81 HTR2C (0.69) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL7098135 0.81 HTR2C (0.76) MAPTHTR2BMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL5964203 0.81 HTR2C (0.74) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL9400708 0.81 HTR2B (0.66) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL9400613 0.80 HTR2B (0.65) MAPTHTR2BMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL9400633 0.80 HTR2C (0.67) MAPTHTR2BMEN1KMT2ATP53
SCHEMBL9400638 0.79 HTR2B (0.67) MAPTHTR2BMEN1KMT2ATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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