SCHEMBL28292542

SCHEMBL28292542

c1ccc2nc(-c3c[nH]c4ccccc34)c(-c3c[nH]c4ccccc34)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PDGFRA P16234 1/20 0.58
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
PDE10A Q9Y233 1/20 0.53
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50

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
SCHEMBL2956896 0.78 MAPT (0.64) PDGFRBMEN1KMT2APDGFRAMAPT
SCHEMBL15333384 0.78 MAOB (0.59) PDGFRBMEN1KMT2APDGFRAMAPT
SCHEMBL17175790 0.76 PDE10A (0.62) PDGFRBMEN1KMT2APDGFRAMAPT
SCHEMBL14380264 0.75 RAB9A (0.71) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL1202543 0.75 IMPDH2 (0.63) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4725465 0.75 PDGFRB (0.55) PDGFRBMEN1KMT2APDGFRAMAPT
SCHEMBL7713938 0.74 AR (0.64) PDGFRBMEN1KMT2APDGFRAMAPT
Methylene Chloride SCHEMBL30760638 0.74 MAPT (0.58) PDGFRBMEN1KMT2APDGFRAMAPT
SCHEMBL1902587 0.74 MEN1 (1.00) PDGFRBMEN1KMT2AMAPTALDH1A1
SCHEMBL8171583 0.74 PDGFRB (1.00) PDGFRBPDGFRAMAPTALDH1A1LMNA

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-109651333-A A kind of 2- indol-3-yl-quinolines with anti-tumor activity and its preparation method and application 五邑大学 2019-04-19 CN disclosed