SCHEMBL29698174

SCHEMBL29698174

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.68
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ FAAH O00519 3/20 0.60
▸ TRPV1 Q8NER1 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MGLL Q99685 3/20 0.58
▸ PDE4B Q07343 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ NPC1 O15118 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL8247508 1.00 HPGD (0.68) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL31597009 0.92 MGLL (0.60) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL13647708 0.90 HPGD (0.54) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL15355311 0.84 SMN1; SMN2 (0.59) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL29589853 0.84 SMN1; SMN2 (0.59) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL29589838 0.82 HPGD (0.56) HPGDMEN1KMT2ARAB9AFAAH
SCHEMBL28826015 0.82 LIPE (0.62) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL29591000 0.82 RAB9A (0.59) HPGDMEN1KMT2ARAB9AALDH1A1
SCHEMBL29560919 0.82 L3MBTL1 (0.66) HPGDMEN1KMT2ARAB9AALDH1A1
SCHEMBL28052547 0.82 LIPE (0.56) HPGDMEN1KMT2ARAB9AMAPT

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-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 — — CN disclosed
CN-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 — — CN disclosed
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