SCHEMBL9802154

SCHEMBL9802154

CC(COCCN)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TAAR1 Q96RJ0 2/20 0.45
MAPK1 P28482 2/20 0.39
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
TRPM2 O94759 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37
LTA4H P09960 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
SCHEMBL9801990 0.89 KIF11 (0.44) KIF11SMN1; SMN2TAAR1MAPK1TACR1
SCHEMBL8459651 0.81 ALDH1A1 (0.41) KIF11SMN1; SMN2TAAR1MAPK1TACR1
SCHEMBL9792272 0.78 MEN1 (0.40) SMN1; SMN2TAAR1MAPK1KDM4EALDH1A1
SCHEMBL11497301 0.78 MAPK1 (0.48) TAAR1MAPK1TACR1ALDH1A1ALOX15
SCHEMBL460018 0.77 TAAR1 (0.65) KIF11SMN1; SMN2TAAR1MAPK1ALDH1A1
SCHEMBL27741555 0.76 KIF11 (0.48) KIF11SMN1; SMN2TAAR1MAPK1TACR1
Hydrochloric Acid SCHEMBL3241793 0.74 TAAR1 (0.62) KIF11SMN1; SMN2TAAR1MAPK1ALDH1A1
SCHEMBL5906803 0.74 MAPK1 (0.48) SMN1; SMN2TAAR1MAPK1ALDH1A1ALOX15
SCHEMBL5221334 0.73 TAAR1 (0.54) KIF11SMN1; SMN2TAAR1CYP3A4KCNH2
SCHEMBL28224667 0.73 MAPK1 (0.46) TAAR1MAPK1ALDH1A1ALOX15MEN1

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-0120466-B2 HEAT-CURABLE COATING COMPOSITION AND ITS USE BASF Lacke + Farben AG (DE) 1991-03-20 EP disclosed