SCHEMBL13654063

SCHEMBL13654063

C=C(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.51
TXN P10599 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 1/20 0.50
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
LMNA P02545 1/20 0.47
APP P05067 1/20 0.47
NR1I2 O75469 1/20 0.45

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
SCHEMBL22078949 0.87 RAB9A (0.51) POLBMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL8911586 0.83 NPC1 (0.66) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL11837292 0.81 NFKB1 (0.78) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL18516880 0.81 RAB9A (0.50) POLBMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL6536659 0.80 NPC1 (0.72) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL4094573 0.77 NFKB1 (0.61) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL14388020 0.76 POLB (0.93) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL4938552 0.76 NFKB1 (0.55) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL6673841 0.76 CA12 (0.57) NFKB1POLBMAPTTXNSMN1; SMN2
SCHEMBL1391141 0.76 NFKB1 (0.64) NFKB1POLBMAPTTXNSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118492-A1 RANDOM ETHYLENE POLYMER INCLUDING A REACTION GROUP AND A SILICONIZED GROUP, COSMETIC COMPOSITION AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2009-10-01 WO disclosed
WO-2009106782-A2 COSMETIC COMPOSITION CONTAINING A RANDOM ETHYLENIC POLYMER WITH A REACTIVE GROUP, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2009-09-03 WO disclosed
WO-2009106781-A2 COSMETIC COMPOSITION CONTAINING A RANDOM ETHYLENIC POLYMER CONTAINING A REACTIVE GROUP AND AN IONISABLE GROUP, COSMETIC TREATMENT METHOD AND NOVEL POLYMERS L'OREAL (FR) 2009-09-03 WO disclosed