SCHEMBL15330601

SCHEMBL15330601

O=Cc1ccc([N+](=O)[O-])c(OCc2sccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
MAPT P10636 8/20 0.44
HPGD P15428 5/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
VCAM1 P19320 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH3A1 P30838 2/20 0.37
TTR P02766 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29957022 0.91 ALDH1A1 (0.50) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29951459 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2HTT
SCHEMBL2558592 0.80 MAPT (0.45) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2559995 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29956698 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29955622 0.78 TACR2 (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL29952525 0.78 ALDH1A1 (0.41) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2556243 0.76 ERN1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL649491 0.75 MAPT (0.55) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL2462903 0.74 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2

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