SCHEMBL29953658

SCHEMBL29953658

[C-]#[N+]c1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 2/20 0.33
CYP3A4 P08684 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.33
ADRA2A P08913 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL985929 1.00 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL10526514 0.82 CYP2A6 (0.39) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8600425 0.80 ALDH1A1 (0.42) TDP1TP53ALDH1A1CYP3A4
SCHEMBL29839690 0.80 ALDH1A1 (0.42) TDP1TP53ALDH1A1CYP3A4
SCHEMBL29807846 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8974919 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8148963 0.76 CYP3A4 (0.41) TP53CYP2A6RAPGEF4SMN1; SMN2CYP3A4
SCHEMBL9272780 0.76 ALDH1A1 (0.52) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL2741041 0.76 ACHE (0.35) CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL324210 0.76 ALDH1A1 (0.35) CYP2A6ALDH1A1MEN1KMT2ARAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136739-A Amitraz hapten, amitraz antigen, amitraz antibody, detection device, preparation and application thereof 广东江门中医药职业学院 2025-06-13 CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
CN-120136739-A Amitraz hapten, amitraz antigen, amitraz antibody, detection device, preparation and application thereof 广东江门中医药职业学院 2025-06-13 CN disclosed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed