SCHEMBL4097943

SCHEMBL4097943

CCCN(C(=N)Nc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
RORC P51449 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL7787793 0.86 KMT2A (0.65) KMT2AMEN1TP53USP2HSD17B10
SCHEMBL28128801 0.79 MEN1 (0.46) KMT2AMEN1TP53ALDH1A1NPC1
Hydrochloric Acid SCHEMBL28169815 0.78 MEN1 (0.45) KMT2AMEN1TP53ALDH1A1NPC1
SCHEMBL28129333 0.78 TP53 (0.41) KMT2AMEN1TP53ALDH1A1NPC1
SCHEMBL837432 0.77 MEN1 (0.45) KMT2AMEN1TP53USP2HSD17B10
Hydrochloric Acid SCHEMBL28485520 0.76 TP53 (0.41) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL10824119 0.75 MEN1 (0.53) KMT2AMEN1TP53ALDH1A1NPC1
SCHEMBL3911915 0.75 KMT2A (0.48) KMT2AMEN1TP53USP2HSD17B10
SCHEMBL18020251 0.73 ALDH1A1 (0.53) KMT2AMEN1HPGDALDH1A1NPC1
SCHEMBL6992434 0.73 ALDH1A1 (0.46) KMT2AMEN1HPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed