SCHEMBL6598655

SCHEMBL6598655

O=C(C[n+]1cccc(-c2cc(COc3ccccc3)n[nH]2)c1)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK8 P45983 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM5A P29375 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ATF4 P18848 1/20 0.35
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL5358894 0.99 MEN1 (0.38) MEN1KMT2AMAPK8HPGDHTT
Pyrazole SCHEMBL1193843 0.93 MEN1 (0.34) MEN1KMT2AMAPK8HPGDHTT
SCHEMBL6597984 0.86 MAPK8 (0.39) MEN1KMT2AMAPK8ALDH1A1KDM5A
Hydrochloric Acid SCHEMBL1194003 0.85 MAPK8 (0.39) MEN1KMT2AMAPK8LMNAALDH1A1
Hydrochloric Acid SCHEMBL6621921 0.83 CPT2 (0.33) MEN1KMT2AHTTRAB9ALMNA
Hydrochloric Acid SCHEMBL6597610 0.82 MAPK8 (0.36) MEN1KMT2AMAPK8ALDH1A1
SCHEMBL6598418 0.80 KMT2A (0.36) MEN1KMT2AMAPK8HPGDHTT
SCHEMBL6596042 0.80 KMT2A (0.48) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27534077 0.80 MLLT1 (0.37) KMT2AMAPK8ALDH1A1CNR2POLB
Bromide SCHEMBL1194131 0.80 KMT2A (0.35) MEN1KMT2AMAPK8HPGDHTT

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
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed