SCHEMBL29080392

SCHEMBL29080392

C=CCCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
VCAM1 P19320 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 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
SCHEMBL19766405 0.89 CYP19A1 (0.42) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL16167547 0.82 TSHR (0.57) TSHRLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL8956380 0.81 TSHR (0.58) CYP19A1TSHRALDH1A1POLBMAPT
SCHEMBL7076638 0.80 CYP19A1 (0.48) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL11473038 0.76 CYP19A1 (0.43) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL7492090 0.74 CYP19A1 (0.46) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL8418034 0.74 TSHR (0.50) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL7589332 0.74 TSHR (0.64) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL9886148 0.74 CYP19A1 (0.50) CYP19A1TSHRLMNAVCAM1SMN1; SMN2
SCHEMBL8625816 0.73 CYP19A1 (0.41) CYP19A1TSHRLMNAVCAM1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490705-B N-macrocyclic amide compound, preparation method thereof and application thereof as medicine 成都凡诺西生物医药科技有限公司 2025-04-01 CN disclosed
CN-115490705-A N-macrocyclic amide compound, preparation method thereof and application thereof as medicine 成都凡诺西生物医药科技有限公司 2022-12-20 CN disclosed