SCHEMBL28056010

SCHEMBL28056010

Nc1ccc2nn(-c3ccccc3O)nc2c1.O=[Ti]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
CASP1 P29466 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TP53 P04637 2/20 0.58
CASP7 P55210 2/20 0.58
ALOX15 P16050 2/20 0.58
APAF1 O14727 1/20 0.58
NPC1 O15118 11/20 0.55
RAB9A P51151 10/20 0.55
STAT1 P42224 1/20 0.55
POLB P06746 3/20 0.47
ATM Q13315 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3217888 0.95 KMT2A (0.63) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5471102 0.79 POLB (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29444885 0.79 NPC1 (0.65) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3937549 0.79 NPC1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL508298 0.79 NPC1 (0.65) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30058950 0.79 NPC1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10824202 0.79 KMT2A (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21023563 0.78 MEN1 (0.64) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29363181 0.78 RAB9A (0.61) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL59309 0.78 RAB9A (0.61) KMT2AMAPTKDM4EALDH1A1HPGD

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
CN-105733036-A High-strength aging-resistant mine cable 王社兵 2016-07-06 CN disclosed