SCHEMBL11236375

SCHEMBL11236375

N=C(NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 2/20 0.57
KCNH2 Q12809 1/20 0.57
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CYP1A2 P05177 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
RECQL P46063 1/20 0.53
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51

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
SCHEMBL13380939 1.00 MEN1 (0.57) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11236369 1.00 MEN1 (0.57) MEN1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL11768309 0.98 MEN1 (0.58) MEN1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL11768319 0.98 MEN1 (0.58) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11233334 0.91 MEN1 (0.57) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11233329 0.91 MEN1 (0.57) MEN1KMT2AMAPTLMNAGAA
SCHEMBL21226655 0.91 MEN1 (0.54) MEN1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL11768897 0.90 MEN1 (0.56) MEN1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL11768892 0.90 MEN1 (0.56) MEN1KMT2AMAPTLMNAGAA
Nitric Acid SCHEMBL11768080 0.88 MEN1 (0.51) MEN1KMT2AMAPTLMNAGAA

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-4310541-A WITH A BIS(BENZYLIDENEAMINO)GUANIDINE MERCK & CO., INC. (US) 1982-01-12 US disclosed