SCHEMBL7693189

SCHEMBL7693189

Nc1ccc(NCCO)cc1-c1cc(O)cc(O)c1.Nc1cccc(-c2cc(NCCO)ccc2N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
PLK1 P53350 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
USP7 Q93009 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL6572047 0.92 FCGR3B (0.40) FCGR3BFCGR1AFCGR2APLK1ALDH1A1
SCHEMBL6574702 0.89 ABL1 (0.36) ALDH1A1ABL1ABCB1BCRTDP1
SCHEMBL6570876 0.88 SRC (0.39) DYRK1AMAP4K4CYP3A4CYP2C9HSD17B1
SCHEMBL6573049 0.88 JAK2 (0.33) FCGR3BFCGR1AFCGR2AALDH1A1ABL1
SCHEMBL6571323 0.82 ALDH1A1 (0.35) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6572585 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAP4K4FNTAFNTB
SCHEMBL6572942 0.80 APP (0.41) ALDH1A1KDM4EMAPTUSP7ABL1
SCHEMBL6572728 0.78 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MAPT
SCHEMBL6570757 0.76 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6573720 0.76 MEN1 (0.46) ALDH1A1KDM4EMAPTABL1CYP1A2

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-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed