SCHEMBL6925243

SCHEMBL6925243

COc1ccc(N)c(NCCO)n1.COc1nc(OC)c(N)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
HTT P42858 3/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPK1 P28482 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
RAD52 P43351 3/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 3/20 0.34
PDE6A P16499 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
PIK3CA P42336 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
SCHEMBL94186 0.90 TNF (0.43) TNFHTTKDM4EMAPK1TAAR1
SCHEMBL29634740 0.90 TNF (0.43) TNFHTTKDM4EMAPK1TAAR1
Hydrochloric Acid SCHEMBL7591939 0.89 TNF (0.43) TNFHTTKDM4EMAPK1TAAR1
SCHEMBL6669525 0.80 TNF (0.36) TNFHTTKDM4EMAPK1TAAR1
SCHEMBL6925238 0.77 POLB (0.34) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12046243 0.77 APP (0.45) KDM4EALDH1A1HSD17B10PDE5AHPGD
SCHEMBL5833312 0.76 MTNR1A (0.37) TNFUSP2ALDH1A1HSD17B10TLR8
SCHEMBL198171 0.76 LDHA (0.43) HTTKDM4EMAPK1USP2TSHR
SCHEMBL29393618 0.76 LDHA (0.43) HTTKDM4EMAPK1USP2TSHR
SCHEMBL2270023 0.74 RAD52 (0.46) MAPK1RAD52ALDH1A1POLBKMT2A

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
WO-2003075871-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO disclosed
WO-2003055458-A1 GRADUAL PERMANENT COLORING OF HAIR USING DYE INTERMEDIATES IN A SHAMPOO BASE UNILEVER PLC (GB) 2003-07-10 WO disclosed