SCHEMBL8441871

SCHEMBL8441871

COc1ccc2c(N=Nc3ccccc3)ccc(NCCN)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FERMT2 Q96AC1 1/20 0.49
▸ HTR1A P08908 3/20 0.39
▸ ADRA1D P25100 3/20 0.39
▸ ADRA1A P35348 3/20 0.39
▸ ADRA1B P35368 3/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ MYC P01106 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL8437411 0.95 FERMT2 (0.49) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL8816528 0.84 CHEK1 (0.44) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8816534 0.84 CHEK1 (0.44) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8441204 0.82 IDO1 (0.54) FERMT2ADRA1AMEN1KMT2AL3MBTL1
SCHEMBL8441211 0.82 IDO1 (0.54) FERMT2ADRA1AMEN1KMT2AL3MBTL1
SCHEMBL8816079 0.80 CHEK1 (0.46) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8816075 0.80 CHEK1 (0.46) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL8441520 0.76 IDO1 (0.42) FERMT2MEN1KMT2AL3MBTL1MAPT
SCHEMBL8441865 0.75 MEN1 (0.40) ADRA1AMEN1KMT2AL3MBTL1MAPT
SCHEMBL8441133 0.74 IDO1 (0.45) FERMT2MEN1KMT2AL3MBTL1MAPT

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
US-5955472-A INHIBITION OF AMYLOID AGGREGATION IN ANIMALS AND PREVENTION OF ALZHEIMER'S DISEASE WARNER-LAMBERT COMPANY (US) 1999-09-21 — — US claimed
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