SCHEMBL13328441

SCHEMBL13328441

CN(C)c1ccc(N=C2C=CC(=[N+](C)C)C=C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCND1 P24385 1/20 0.54
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
MAPK1 P28482 7/20 0.51
TDP1 Q9NUW8 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TSHR P16473 4/20 0.51
HIF1A Q16665 4/20 0.51
TP53 P04637 4/20 0.51
THRB P10828 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51

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
SCHEMBL12267743 0.78 ALDH1A1 (0.45) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL14612968 0.78 ALDH1A1 (0.45) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL126305 0.78 PABPC1 (0.60) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL3397554 0.76 ALDH1A1 (0.47) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL14582121 0.75 ALDH1A1 (0.42) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL21218536 0.71 ALDH1A1 (0.53) MAPK1TDP1MEN1KMT2ATSHR
SCHEMBL11690642 0.70 PABPC1 (0.51) MAPK1TDP1MEN1KMT2ATSHR
Hexamethyl Pararosaniline SCHEMBL94116 0.69 TDP1 (0.96) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL13139595 0.68 MAPK1 (0.71) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2680700 0.68 PABPC1 (0.56) MAPK1TDP1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3559122-B1 SYNTHESIS OF A THIOSULFONIC ACID BY A STEP OF PERIODATE MEDIATED OXIDATIVE COUPLING OF A THIOSULFONIC ACID WITH AN ANILINE WISTA LAB LTD (SG) 2025-01-22 EP disclosed
US-7719645-B2 Optically anisotropic body and liquid crystal display ZEON CORPORATION (JP) 2010-05-18 US disclosed
US-20090316094-A1 Optically anisotropic body and liquid crystal display ZEON CORPORATION (JP) 2009-12-24 US disclosed
US-7208284-B2 Method for measuring polyamines in erythrocytes, diagnostic method and kit for measuring polyamines in erythrocytes NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2007-04-24 US disclosed