SCHEMBL21596963

SCHEMBL21596963

Cc1cc(N)cc(C)c1N.Nc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
TSHR P16473 3/20 0.55
CYP3A4 P08684 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
TP53 P04637 2/20 0.55
ACHE P22303 1/20 0.50
PDE10A Q9Y233 1/20 0.50
CASP1 P29466 2/20 0.48
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.46
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
NR4A1 P22736 1/20 0.39

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
SCHEMBL33589 0.91 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4TDP1TP53
Hydrochloric Acid SCHEMBL970560 0.88 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4TDP1TP53
Hydrochloric Acid SCHEMBL7931830 0.88 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL10425169 0.85 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL19435865 0.84 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL29074595 0.83 CASP1 (0.77) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL10334816 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL5365577 0.80 CYP3A4 (0.60) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL28936806 0.77 CD44 (0.62) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL9495198 0.77 CASP1 (0.48) ALDH1A1TSHRCYP3A4TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810075-A1 DEVICE FOR DISPENSING A HAIR DYEING PRODUCT USING A DYE COMPOSITION AND AN OXIDIZING COMPOSITION COMPRISING A SCLEROGLUCAN GUM L'OREAL (FR) 2021-04-28 EP disclosed
EP-3810079-A1 HAIR DYEING COMPOSITION COMPRISING AN OXIDATION DYE, A SCLEROGLUCAN GUM AND AN ALKALINE AGENT SUCH AS AN AMINO ACID L'OREAL (FR) 2021-04-28 EP disclosed
EP-3810287-A1 HAIR DYEING COMPOSITION COMPRISING AN OXIDATION DYE, A SCLEROGLUCAN GUM AND A CATIONIC POLYMER L'OREAL (FR) 2021-04-28 EP disclosed
EP-3810076-A1 HAIR DYEING METHOD USING A DYE COMPOSITION AND AN OXIDIZING COMPOSITION, SAID COMPOSITIONS COMPRISING A SCLEROGLUCAN GUM L'OREAL (FR) 2021-04-28 EP disclosed
WO-2019243505-A1 DEVICE FOR DISPENSING A HAIR DYEING PRODUCT USING A DYE COMPOSITION AND AN OXIDIZING COMPOSITION COMPRISING A SCLEROGLUCAN GUM L'OREAL (FR) 2019-12-26 WO disclosed
WO-2019243511-A1 HAIR DYEING COMPOSITION COMPRISING AN OXIDATION DYE, A SCLEROGLUCAN GUM AND A CATIONIC POLYMER L'OREAL (FR) 2019-12-26 WO disclosed
WO-2019243513-A1 HAIR DYEING COMPOSITION COMPRISING AN OXIDATION DYE, A SCLEROGLUCAN GUM AND AN ALKALINE AGENT SUCH AS AN AMINO ACID L'OREAL (FR) 2019-12-26 WO disclosed
WO-2019243508-A1 HAIR DYEING METHOD USING A DYE COMPOSITION AND AN OXIDIZING COMPOSITION, SAID COMPOSITIONS COMPRISING A SCLEROGLUCAN GUM L'OREAL (FR) 2019-12-26 WO disclosed