SCHEMBL9760977

SCHEMBL9760977

O=[N+]([O-])c1cnc(N2CCOCC2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 4/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSB P07858 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL13729176 0.73 POLB (0.48) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL14334321 0.71 KMT2A (0.42) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL9761124 0.71 KMT2A (0.52) ALDH1A1CYP1A2CYP2C9MAPTCYP2C19
SCHEMBL30766045 0.70 KMT2A (0.51) POLBALDH1A1MAPTMEN1TSHR
SCHEMBL3386200 0.69 ALDH1A1 (0.65) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL14334236 0.69 KMT2A (0.43) POLBALDH1A1MAPTHTTMEN1
SCHEMBL29437404 0.69 POLB (1.00) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL15733180 0.69 HTT (0.47) POLBALDH1A1HTTMEN1TSHR
SCHEMBL9762614 0.69 POLB (0.49) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL9762559 0.69 ALDH1A1 (0.49) POLBALDH1A1CYP1A2CYP2C9HPGD

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