SCHEMBL10694573

SCHEMBL10694573

Cc1ccccc1-c1cc(C#N)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TSHR P16473 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2A6 P11509 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL20040430 0.86 ALDH1A1 (0.45) ARLMNAALDH1A1KDM4EGAA
SCHEMBL18940861 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGAATSHRSLC6A2
SCHEMBL18934546 0.85 AR (0.46) ARLMNAALDH1A1KDM4EGAA
SCHEMBL21277388 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EGAATSHRCYP2A6
SCHEMBL20116875 0.83 ALDH1A1 (0.45) ARALDH1A1KDM4EGAACYP11B1
SCHEMBL14926516 0.82 CYP11B2 (0.47) ARALDH1A1CYP11B1CYP11B2TSHR
SCHEMBL18406703 0.81 FNTA (0.50) ARTSHRFNTAFNTBPGGT1B
SCHEMBL18406704 0.77 TSHR (0.48) ARLMNACYP11B1CYP11B2TSHR
SCHEMBL21277414 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EGAASLC6A2SLC6A4
SCHEMBL698158 0.77 PTGDR2 (0.49) ALDH1A1KDM4EGAATSHRMAPK1

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-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed