SCHEMBL8552998

SCHEMBL8552998

C/C(=C\c1ccccc1)c1nc2ccccc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 4/20 0.46
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
SLC22A12 Q96S37 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL8553002 1.00 MAPK1 (0.51) MAPK1HTTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8548616 0.99 MAPK1 (0.50) MAPK1HTTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8548615 0.99 MAPK1 (0.50) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL14505847 0.86 MAPK1 (0.56) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL18820626 0.86 MAPK1 (0.56) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL17470433 0.78 MAPK1 (0.57) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL8553005 0.75 ALDH1A1 (0.53) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL8552995 0.75 ALDH1A1 (0.53) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL10029682 0.74 MAPK1 (0.56) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL2334505 0.74 RECQL (0.59) MAPK1HTTKMT2AMEN1ALDH1A1

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
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed