SCHEMBL29636503

SCHEMBL29636503

CN(C)c1ccc(Nc2ccc(N(C)C)nc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.60
TRPV1 Q8NER1 1/20 0.42
MAP3K11 Q16584 1/20 0.39
APP P05067 3/20 0.39
KCNH2 Q12809 2/20 0.39
CSF1R P07333 1/20 0.38
PIK3CA P42336 3/20 0.38
MTOR P42345 2/20 0.38
TDO2 P48775 1/20 0.37
BTK Q06187 1/20 0.37
EGFR P00533 3/20 0.35
IGF1R P08069 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL14234051 1.00 KDM1A (0.60) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL29636433 0.90 KDM1A (0.53) KDM1AAPPEGFRIGF1R
SCHEMBL14234052 0.90 KDM1A (0.53) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL29636448 0.90 KDM1A (0.65) KDM1ABTKIGF1R
SCHEMBL14234303 0.90 KDM1A (0.65) KDM1ABTKIGF1R
SCHEMBL14234048 0.90 KDM1A (0.53) KDM1AAPPEGFRIGF1R
SCHEMBL29636481 0.89 KDM1A (0.51) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL14234302 0.89 KDM1A (0.51) KDM1ATRPV1MAP3K11APPKCNH2
SCHEMBL17967580 0.86 TRPV1 (0.56) KDM1ATRPV1
SCHEMBL29636507 0.86 KDM1A (0.52) KDM1ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230392018-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY 2023-12-07 US disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 WO disclosed