SCHEMBL9544345

SCHEMBL9544345

Cn1ccc2cc(N(C(N)=O)c3ncccc3O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 2/20 0.39
PRKCI P41743 1/20 0.37
GRM4 Q14833 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
AR P10275 1/20 0.35
GRK5 P34947 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL9542979 0.84 GRK5 (0.47) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL7403640 0.82 HTR2B (0.44) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL27469254 0.81 HTR2B (0.40) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL27407225 0.81 HTR2B (0.39) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL27384172 0.81 NOTUM (0.39) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL9545059 0.80 GRM4 (0.39) HTR2BKDM4EMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL27407226 0.80 HTR2C (0.40) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL18962969 0.79 MAPT (0.52) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL9544220 0.78 HTR2B (0.47) HTR2BKDM4EMEN1TP53CYP1A2
SCHEMBL7098140 0.78 HTR2B (0.42) HTR2BKDM4EMEN1TP53CYP1A2

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-1993016694-A1 USE OF INDYLPYRIDYLUREAS TO HEAL THE EFFECTS OF BRAIN OR SPIRAL TRAUMA SMITHKLINE BEECHAM PLC (GB) 1993-09-02 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