SCHEMBL30776205

SCHEMBL30776205

O=C(O)c1ccccc1-c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HCAR2 Q8TDS4 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 3/20 0.43
GAA P10253 2/20 0.43
APP P05067 1/20 0.43
HCAR3 P49019 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
MYC P01106 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42

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
SCHEMBL28532968 1.00 KDM4C (0.48) KDM4CRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL30227102 1.00 KDM4C (0.48) KDM4CRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL30776208 1.00 KDM4C (0.48) KDM4CRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL27870881 0.88 HCRTR2 (0.42) KDM4CALDH1A1ALOX15CYP3A4TSHR
SCHEMBL30521876 0.85 BCAT2 (0.53) KDM4CRAB9ANPC1KDM4EALDH1A1
SCHEMBL19604229 0.85 KDM4C (0.57) KDM4CKDM4EALDH1A1ALOX15CYP3A4
SCHEMBL45147 0.85 BCAT2 (0.53) KDM4CRAB9ANPC1KDM4EALDH1A1
SCHEMBL31227852 0.85 BCAT2 (0.53) KDM4CRAB9ANPC1KDM4EALDH1A1
SCHEMBL28996120 0.84 KDM4C (0.50) KDM4CKDM4EHCAR2NAPRTALDH1A1
SCHEMBL29064572 0.83 METAP2 (0.41) KDM4CKDM4EALDH1A1ALOX15CYP3A4

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-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 CN disclosed