SCHEMBL28448306

SCHEMBL28448306

CCCCc1ccc(NCC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.56
KAT2B Q92831 3/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 7/20 0.51
PKM P14618 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL28212058 0.85 KAT2B (0.48) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL6536602 0.82 HCAR3 (0.62) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL29511376 0.82 KMT2A (0.56) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL7203391 0.82 KMT2A (0.56) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL15984903 0.81 KAT2B (0.79) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL9365460 0.80 NPC1 (0.47) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL83731 0.80 ALDH1A1 (0.50) KAT2BLMNAMAPTALDH1A1L3MBTL1
SCHEMBL18327527 0.79 HCAR3 (0.56) HCAR3KAT2BLMNAMAPTPKM
SCHEMBL12708634 0.78 ALDH1A1 (0.50) LMNAMAPTALDH1A1L3MBTL1TDP1
SCHEMBL6623104 0.78 NPC1 (0.54) HCAR3KAT2BLMNAMAPTALDH1A1

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-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN disclosed