SCHEMBL7203333

SCHEMBL7203333

COc1cccc(N)c1NCc1cc(N)ccc1N.Cc1cccc(N)c1NCc1cc(N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 5/20 0.38
TSHR P16473 4/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
CRHBP P24387 1/20 0.37

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
SCHEMBL6742538 0.94 GAA (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6740071 0.89 CASP1 (0.36) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL23997342 0.81 GAA (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30336962 0.81 GAA (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6742217 0.76 L3MBTL1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6739375 0.76 TSHR (0.34) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL6273540 0.76 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6741742 0.73 PLAU (0.38) ALDH1A1MAPTGAATSHRTP53
SCHEMBL6273612 0.73 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL6734255 0.73 BCHE (0.34) ALDH1A1MAPTCYP3A4MEN1KMT2A

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
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed