SCHEMBL8553005

SCHEMBL8553005

CC(=Cc1nc2ccccc2n1-c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
CRHBP P24387 3/20 0.53
CRHR2 Q13324 3/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
SLC22A12 Q96S37 1/20 0.44
TSHR P16473 3/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
POLB P06746 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
SCHEMBL8552995 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CRHBPCRHR2
Hydrochloric Acid SCHEMBL8548612 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CRHBPCRHR2
Hydrochloric Acid SCHEMBL8548617 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL19480058 0.82 MAPK1 (0.53) ALDH1A1KMT2AMEN1CRHBPCRHR2
Oxalic Acid SCHEMBL6844280 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CRHBPCRHR2
Oxalic Acid SCHEMBL6844283 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL2086648 0.76 MAPK1 (0.56) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL12545552 0.76 MAPK1 (0.56) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL18820626 0.75 MAPK1 (0.56) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL14505847 0.75 MAPK1 (0.56) ALDH1A1KMT2AMEN1CRHBPCRHR2

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