SCHEMBL29952844

SCHEMBL29952844

[C-]#[N+]c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
VCAM1 P19320 1/20 0.50
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
MEN1 O00255 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PDE7A Q13946 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL29957247 0.85 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL13303843 0.85 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL17446897 0.81 HSD17B10 (0.60) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL29954598 0.78 ALDH1A1 (0.60) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL10966874 0.78 ALDH1A1 (0.60) HSD17B10ALDH1A1TDP1TSHRLMNA
SCHEMBL29950854 0.78 ALDH1A1 (0.56) HSD17B10KMT2AALDH1A1TDP1MEN1
SCHEMBL14744354 0.76 HSD17B10 (0.53) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL29494947 0.76 HSD17B10 (0.53) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL85918 0.76 HSD17B10 (1.00) HSD17B10VCAM1KMT2AALDH1A1TDP1
SCHEMBL29360183 0.76 HSD17B10 (1.00) HSD17B10VCAM1KMT2AALDH1A1TDP1

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