SCHEMBL15330709

SCHEMBL15330709

O=Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
XDH P47989 1/20 0.45
PKM P14618 3/20 0.44
MAPT P10636 5/20 0.42
PTGS2 P35354 1/20 0.40
ERN1 O75460 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KAT2B Q92831 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15330816 0.83 MAPT (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2559653 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1XDHPKM
SCHEMBL15332330 0.81 NPC1 (0.44) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL15331047 0.78 NPC1 (0.42) ALDH1A1KMT2AMEN1PKMMAPT
SCHEMBL15330970 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL3321144 0.78 RAB9A (0.49) ALDH1A1KMT2AMEN1MAPTPTGS2
SCHEMBL15332658 0.75 PKM (0.47) ALDH1A1KMT2APKMMAPTERN1
SCHEMBL29950997 0.75 HIF1A (0.45) KMT2AMEN1XDHMAPTPTGS2
SCHEMBL15331298 0.74 LMNA (0.43) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15331175 0.73 MAPT (0.46) ALDH1A1KMT2AMEN1PKMMAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed