SCHEMBL9762444

SCHEMBL9762444

CC(C)Oc1nc([N+](=O)[O-])[nH]c1NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
GABBR2 O75899 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 2/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 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
SCHEMBL9762557 0.73 MAPT (0.37) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762563 0.67 KMT2A (0.47) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762636 0.66 RIPK1 (0.41) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762478 0.63 KMT2A (0.32) KMT2AALDH1A1RAB9A
SCHEMBL9761564 0.63 RIPK1 (0.52) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762606 0.62 KMT2A (0.42) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762599 0.62 RIPK1 (0.45) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762473 0.61 KMT2A (0.44) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762579 0.60 KMT2A (0.46) RIPK1KMT2AMEN1GABBR2CYP1A2
SCHEMBL9762363 0.60 KMT2A (0.46) RIPK1KMT2AMEN1GABBR2CYP1A2

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