SCHEMBL28313397

SCHEMBL28313397

COC1CCC(c2ccc(N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 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
SCHEMBL844679 0.88 MAPT (0.56) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL9913544 0.82 MAPT (0.53) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL2551921 0.82 TDP1 (0.53) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL2654454 0.81 TDP1 (0.51) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL29277905 0.80 MAPT (0.47) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL15157040 0.80 MAPT (0.50) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL3737931 0.79 MAPT (0.48) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL28314138 0.76 MAPT (0.46) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL13041548 0.76 TSHR (0.44) TSHRMAPTTDP1ALDH1A1MEN1
SCHEMBL9913420 0.76 TDP1 (0.56) TSHRMAPTTDP1ALDH1A1MEN1

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-110036002-A Medical compounds 细胞中心有限公司 2019-07-19 CN disclosed