SCHEMBL14863940

SCHEMBL14863940

O=C1CNCCN1Cc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CXCR4 P61073 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CCR2 P41597 1/20 0.37
CXCL12 P48061 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 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
SCHEMBL4692001 0.85 MEN1 (0.47) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL2899901 0.83 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL20129619 0.83 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL25271016 0.83 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1CXCR4SMN1; SMN2
SCHEMBL24648953 0.83 MGLL (0.43) HTR2CALDH1A1POLBL3MBTL1CXCR4
SCHEMBL92331 0.83 L3MBTL1 (0.56) ALDH1A1POLBL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4767938 0.82 ALDH1A1 (0.61) ALDH1A1POLBL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4768580 0.81 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1MEN1KMT2A
Bromide SCHEMBL28426487 0.81 L3MBTL1 (0.54) ALDH1A1POLBL3MBTL1CXCR4MEN1
SCHEMBL7996202 0.81 ENPP2 (0.51) POLBL3MBTL1CXCR4HRH3KMT2A

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
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed