SCHEMBL15330680

SCHEMBL15330680

O=Cc1cnn(-c2cccc([N+](=O)[O-])c2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.51
GFER P55789 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
POLB P06746 1/20 0.48
MAPK14 Q16539 1/20 0.47
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44

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 0.84 MAPT (0.54) MAPTRAB9AHPGDNPC1GFER
SCHEMBL2559653 0.83 ALDH1A1 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15332981 0.80 NPBWR1 (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15331277 0.79 NPC1 (0.46) MAPTRAB9AHPGDNPC1KMT2A
SCHEMBL15330532 0.78 MAPK14 (0.43) RAB9ANPC1CYP1A2KMT2AALDH1A1
SCHEMBL29954581 0.76 ALDH1A1 (0.48) MAPTRAB9AHPGDNPC1GFER
SCHEMBL2559364 0.76 ALDH1A1 (0.48) MAPTRAB9AHPGDNPC1GFER
SCHEMBL10814864 0.75 MAPT (0.60) MAPTRAB9AHPGDNPC1GFER
SCHEMBL29954784 0.75 NPC1 (0.48) MAPTRAB9AHPGDNPC1CYP1A2
SCHEMBL2559232 0.74 ERN1 (0.42) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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