SCHEMBL29696261

SCHEMBL29696261

c1cnnc2ccnc-2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
NPC1 O15118 5/20 0.52
TP53 P04637 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 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
SCHEMBL1993381 1.00 KDM4E (0.52) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL31609343 0.88 KDM4E (0.70) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL322178 0.88 KDM4E (0.70) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL1456807 0.87 GOT1 (0.46) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL30792004 0.87 GOT1 (0.46) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL29442588 0.87 GOT1 (0.46) KDM4ENPC1TP53RAB9ALMNA
Water SCHEMBL3749603 0.86 KDM4E (0.67) KDM4ENPC1TP53RAB9ALMNA
Hydrogen Sulfide SCHEMBL3749800 0.86 KDM4E (0.67) KDM4ENPC1TP53RAB9ALMNA
Oxazole SCHEMBL27790750 0.83 KDM4E (0.38) KDM4ENPC1TP53RAB9ALMNA
SCHEMBL17631434 0.82 GRM5 (0.40) KDM4ENPC1TP53RAB9ALMNA

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-114728175-A Antigen binding protein constructs and uses thereof 神话治疗股份有限公司 2022-07-08 CN disclosed