SCHEMBL9812129

SCHEMBL9812129

C=CCN(N)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
GFER P55789 2/20 0.40
PSMD14 O00487 1/20 0.40
RECQL P46063 1/20 0.40
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA3 P07451 1/20 0.33

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
SCHEMBL4921797 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL2235748 0.81 C5AR1 (0.40) ALDH1A1TDP1TSHRCYP1A2CYP2C19
SCHEMBL127344 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL1444328 0.80 ESR1 (0.45) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL11237351 0.79 ALDH1A1 (0.42) ALDH1A1CYP3A4MAPK1TSHRALOX15
SCHEMBL5498507 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ESR1SMN1; SMN2
SCHEMBL11406187 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6275564 0.77 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6255892 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL7590353 0.75 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309652-B1 HAIR DYE RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed
EP-0193656-B1 HAIR-DYEING COMPOSITION RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1990-04-25 EP disclosed
EP-0309652-A2 Hair dye RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed
EP-0137524-B1 HAIR DYEING COMPOSITIONS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1988-01-20 EP disclosed
US-4661115-A Hair dyeing agents RUETGERSWERKE AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed
EP-0193656-A2 Hair-dyeing composition RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1986-09-10 EP disclosed
EP-0137524-A1 Hair dyeing compositions RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1985-04-17 EP disclosed