SCHEMBL31037849

SCHEMBL31037849

COc1ccccc1Oc1c(O)nc(Cc2cccc(C)c2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 5/20 0.49
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 5/20 0.40
TSHR P16473 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR6 P50406 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7854304 0.88 DHPS (0.49) DHPSLMNATSHRHTR6HTT
SCHEMBL31037841 0.87 DHPS (0.62) DHPSSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL31037843 0.86 DHPS (0.52) DHPSLMNATSHRALDH1A1MAPT
SCHEMBL31037832 0.85 DHPS (0.65) DHPSHTR1AADRA1DADRA1AADRA1B
SCHEMBL31037847 0.80 DHPS (0.79) DHPS
SCHEMBL31037845 0.79 HTR6 (0.46) DHPSSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL31037808 0.78 DHPS (0.81) DHPS
SCHEMBL31037839 0.78 DHPS (0.43) DHPSHTR1AADRA1DADRA1AADRA1B
SCHEMBL13729637 0.76 HTR6 (0.49) HTR6TP53ACHEMEN1KMT2A
SCHEMBL13824043 0.76 IDO1 (0.42) SMN1; SMN2LMNAMAPTHTTL3MBTL1

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-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed