SCHEMBL11078057

SCHEMBL11078057

O=C(c1cccnc1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.70
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
KMT2A Q03164 1/20 0.62
NAMPT P43490 3/20 0.58
PKM P14618 2/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL11080932 0.90 SLC6A7 (0.85) SLC6A7ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL9763711 0.85 PKM (0.74) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
Hydrochloric Acid SCHEMBL1596692 0.83 PKM (0.72) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL13149233 0.83 KDM4E (0.71) SLC6A7ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3575539 0.83 SLC6A7 (1.00) SLC6A7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL94351 0.82 SLC6A7 (0.73) SLC6A7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19562177 0.82 SLC6A7 (0.73) SLC6A7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12082792 0.82 SLC6A7 (0.73) SLC6A7KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL27872912 0.82 SLC6A7 (0.69) SLC6A7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1108658 0.82 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT

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
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed