SCHEMBL29952811

SCHEMBL29952811

[C-]#[N+]c1ccc2c(c1)c1ccccc1n2CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
KDM4E B2RXH2 8/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HTT P42858 3/20 0.61
MAPK1 P28482 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
HPGD P15428 1/20 0.61
HBB P68871 1/20 0.61
LMNA P02545 5/20 0.54
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
SRC P12931 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NSD2 O96028 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 2/20 0.48

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
SCHEMBL9631354 0.85 MAPT (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL9630379 0.84 MAPT (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9807629 0.80 MAPT (0.54) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL13979310 0.80 KDM4E (0.70) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29963695 0.80 ALDH1A1 (0.75) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL29360167 0.80 ALDH1A1 (0.75) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL151563 0.80 ALDH1A1 (0.75) MAPTKDM4EMEN1KMT2AALDH1A1
Lindane SCHEMBL9754163 0.79 MAPT (0.52) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14805532 0.79 MAPT (0.69) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31027168 0.79 MAPT (0.69) MAPTKDM4EMEN1KMT2AALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed