SCHEMBL28277263

SCHEMBL28277263

C=CCc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HCAR3 P49019 1/20 0.35
ALDH1A1 P00352 7/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA12 O43570 1/20 0.30
MEN1 O00255 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 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
SCHEMBL8927043 0.87 ALDH1A1 (0.37) POLBTDP1GABRA1GABRB2HCAR3
SCHEMBL456636 0.79 PDK1 (0.41) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL11152901 0.77 ALDH1A1 (0.56) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL6205054 0.77 ALDH1A1 (0.36) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL3604296 0.77 ALDH1A1 (0.39) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL16950649 0.76 MAPT (0.36) TDP1HCAR3ALDH1A1HPGDTSHR
SCHEMBL1135905 0.75 ALDH1A1 (0.58) TDP1ALDH1A1HPGDTSHRHTT
SCHEMBL30367918 0.75 ALDH1A1 (0.58) TDP1ALDH1A1HPGDTSHRHTT
SCHEMBL2536793 0.74 GABRA1 (0.36) POLBGABRA1GABRB2
Bromide SCHEMBL28506426 0.74 ALDH1A1 (0.56) TDP1ALDH1A1HPGDTSHRHTT

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
CN-104781909-B It is used to form the solution formula and method of the substrate comprising arsenic dopant 慧盛材料美国有限责任公司 2019-02-05 CN disclosed