SCHEMBL9762284

SCHEMBL9762284

CCN(CC)c1n[nH]c([N+](=O)[O-])c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL9762325 0.77 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL10420191 0.71 DYRK1A (0.42) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL14295795 0.70 MAPT (0.35) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL9761190 0.68 TSHR (0.37) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL25792266 0.68 MAPT (0.40) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL9761080 0.67 MAT2A (0.34) ALDH1A1RAB9AMAPTHTT
SCHEMBL9761821 0.67 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL9124018 0.66 TDP1 (0.38) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL9762410 0.66 ALOX15 (0.42) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9762532 0.64 ALDH1A1 (0.31) ALDH1A1

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed