SCHEMBL9761815

SCHEMBL9761815

CC(C)(C)Oc1nsc([N+](=O)[O-])c1NC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 9/20 0.35
MEN1 O00255 8/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
ALDH1A1 P00352 3/20 0.33
BLM P54132 2/20 0.33
MAPK1 P28482 1/20 0.33
CDK2 P24941 1/20 0.33
CRHBP P24387 2/20 0.33

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
SCHEMBL9762608 0.82 NPBWR1 (0.38) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9762165 0.76 KMT2A (0.44) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9762389 0.72 KMT2A (0.43) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9761408 0.71 KMT2A (0.41) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9762602 0.68 NPC1 (0.41) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9762566 0.68 NPBWR1 (0.41) MAPTLMNAGAAKMT2AMEN1
SCHEMBL9761506 0.63 KMT2A (0.39) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9760943 0.62 KMT2A (0.37) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9762169 0.62 KMT2A (0.37) MAPTPOLBLMNAGAAKMT2A
SCHEMBL9761702 0.61 NPC1 (0.46) MAPTPOLBLMNAGAAKMT2A

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