SCHEMBL9545320

SCHEMBL9545320

Cn1ccc2cc(N(C(N)=O)c3ccc(Cl)nc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
PRKCI P41743 1/20 0.38
MAOB P27338 1/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 3/20 0.36
AR P10275 1/20 0.36
CYP2A6 P11509 1/20 0.36

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 SCHEMBL27535995 0.99 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPRKCIMAOB
SCHEMBL27384169 0.85 PIK3CD (0.38) PIK3CDPIK3R1PIK3CBPRKCIHTR2B
SCHEMBL9376868 0.82 HTR2B (0.40) PIK3CDPIK3R1PIK3CBPRKCIMAOB
SCHEMBL9545377 0.81 MEN1 (0.41) PIK3CDPIK3R1PIK3CBPRKCIMAOB
Hydrochloric Acid SCHEMBL9544563 0.81 HTR2C (0.41) PIK3CDPIK3R1PIK3CBPRKCIHTR2B
SCHEMBL18962969 0.81 MAPT (0.52) PIK3CDPIK3R1PRKCIHTR2BKDM4E
Hydrochloric Acid SCHEMBL27386294 0.80 HTR2C (0.53) PIK3CDPIK3R1PRKCIHTR2BKDM4E
SCHEMBL9542983 0.79 MAPT (0.44) PIK3CBPRKCIHTR2BKDM4EMEN1
SCHEMBL9542979 0.79 GRK5 (0.47) PRKCIHTR2BKDM4EMEN1TP53
SCHEMBL27407225 0.78 HTR2B (0.39) PIK3CDPIK3R1PIK3CBPRKCIMAOB

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
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN 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