SCHEMBL19495070

SCHEMBL19495070

CCOc1ccc2nc(N3CCCN(C(=O)Nc4ccccc4OCC)CC3)c(/C=N/C)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CASP1 P29466 1/20 0.63
▸ CASP7 P55210 1/20 0.63
▸ ATM Q13315 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ PDGFRB P09619 4/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PDGFRA P16234 1/20 0.41

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
SCHEMBL19495358 0.90 MEN1 (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12043094 0.85 KDM4E (0.85) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14602136 0.78 MEN1 (0.65) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2525573 0.77 KDM4E (0.84) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14073362 0.75 KDM4E (0.70) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12043096 0.75 MEN1 (0.81) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12043100 0.74 MEN1 (0.69) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14073364 0.72 ALDH1A1 (0.70) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16940595 0.71 KDM4E (0.74) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL12043118 0.69 ALDH1A1 (0.70) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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
EP-1937252-B1 COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT INC (US) 2017-10-25 — — EP disclosed
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