SCHEMBL9761185

SCHEMBL9761185

CC(C)Cc1snc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.38
CCR6 P51684 1/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 7/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9762357 0.80 L3MBTL1 (0.35) L3MBTL1KMT2APOLBATMMAPT
SCHEMBL9761419 0.73 CYP1A2 (0.41) L3MBTL1KMT2APOLBCCR6ATM
SCHEMBL9762544 0.72 GAA (0.31) GAA
SCHEMBL9761650 0.69 L3MBTL1 (0.40) L3MBTL1KMT2APOLBATMMAPT
SCHEMBL11558441 0.66 MAPT (0.46) L3MBTL1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL9761085 0.65 MAPT (0.40) L3MBTL1KMT2APOLBATMMAPT
SCHEMBL9761589 0.65 KMT2A (0.44) L3MBTL1KMT2APOLBATMMAPT
SCHEMBL9762513 0.65 MAPT (0.43) L3MBTL1KMT2APOLBMAPTALDH1A1
SCHEMBL9760943 0.64 KMT2A (0.37) L3MBTL1KMT2APOLBMAPTALDH1A1
SCHEMBL9761506 0.62 KMT2A (0.39) L3MBTL1KMT2APOLBMAPTALDH1A1

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