SCHEMBL22978691

SCHEMBL22978691

Cc1cc(OC(=O)N2CCCCC2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
TMPRSS15 P98073 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL875579 0.73 TMPRSS15 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL27361867 0.73 RAB9A (0.49) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL13631422 0.72 KMT2A (0.66) TSHRALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL6632393 0.72 TMPRSS15 (0.55) ALDH1A1POLBSMN1; SMN2MAPTHTT
SCHEMBL9844093 0.70 TMPRSS15 (0.47) ALDH1A1SMN1; SMN2MAPTHTTRAB9A
SCHEMBL22978714 0.70 ALDH1A1 (0.51) TSHRALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL19520914 0.69 TMPRSS15 (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1532836 0.69 ALDH1A1 (0.50) TSHRALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL11150108 0.68 ALDH1A1 (0.53) TSHRALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL27952188 0.68 TMPRSS15 (0.45) TSHRALDH1A1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021026803-A1 PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-02-18 WO disclosed