SCHEMBL8094894

SCHEMBL8094894

Cc1cc(C(=O)Br)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.56
RAB9A P51151 4/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.52
ALPL P05186 1/20 0.50
BLM P54132 1/20 0.50
MGAM O43451 1/20 0.49
AMY1A P0DUB6 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
CASP6 P55212 1/20 0.49
NPBWR1 P48145 1/20 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
SCHEMBL27862369 0.86 TSHR (0.72) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL28050912 0.85 TSHR (0.77) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL1026131 0.84 TSHR (0.74) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL264768 0.84 TSHR (1.00) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL2767396 0.82 TSHR (0.72) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL27865552 0.82 TSHR (0.72) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL27455525 0.82 TSHR (0.96) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL844701 0.82 TSHR (0.72) TSHRMEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL11553659 0.82 TSHR (0.96) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL16955993 0.81 TSHR (0.71) TSHRMEN1KMT2AMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed