SCHEMBL6535345

SCHEMBL6535345

c1ccc(-c2cc(-c3ccccc3)nc(-c3ncccn3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
ADORA1 P30542 3/20 0.56
ADORA2A P29274 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 5/20 0.53
NTSR1 P30989 1/20 0.53
TOP1 P11387 1/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
AGTR1 P30556 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.48
IDH1 O75874 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9920492 0.88 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL19009541 0.87 MEN1 (0.66) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL17944844 0.87 MEN1 (0.66) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL6535265 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL13133548 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL19009542 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL13133544 0.83 MEN1 (0.65) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL18698106 0.83 KDM4E (0.68) MEN1KMT2AALDH1A1HPGDADORA1
SCHEMBL29736136 0.82 AURKA (0.61) MEN1KMT2AADORA2ASMN1; SMN2L3MBTL1
SCHEMBL13114127 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1HPGDADORA1

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-0994834-A4 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA INC (US) 2004-12-29 EP disclosed
EP-0994834-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 2000-04-26 EP disclosed
WO-1998050333-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 1998-11-12 WO disclosed