SCHEMBL11615671

SCHEMBL11615671

Clc1ccc(CNC2CCCCCC2)cc1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.93
HRH3 Q9Y5N1 3/20 0.72
LMNA P02545 1/20 0.59
ALOX12 P18054 1/20 0.59
EPHX1 P07099 1/20 0.59
ACHE P22303 3/20 0.58
BCHE P06276 2/20 0.58
BACE1 P56817 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HDAC1 Q13547 1/20 0.57
CXCR4 P61073 2/20 0.54
CXCL12 P48061 1/20 0.54
GLA P06280 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
FOXM1 Q08050 1/20 0.49

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
SCHEMBL5863714 1.00 POLB (0.93) POLBHRH3LMNAALOX12EPHX1
SCHEMBL11112228 0.98 POLB (0.96) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8809145 0.95 POLB (0.83) POLBHRH3LMNAALOX12EPHX1
SCHEMBL31083251 0.94 POLB (0.89) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8808145 0.90 POLB (0.76) POLBHRH3LMNAALOX12EPHX1
SCHEMBL3236686 0.90 POLB (0.81) POLBHRH3LMNAALOX12EPHX1
SCHEMBL10953965 0.90 HRH3 (0.88) POLBHRH3MEN1KMT2AHDAC1
SCHEMBL19329149 0.82 POLB (0.70) POLBHRH3LMNAALOX12EPHX1
SCHEMBL7318100 0.81 POLB (0.69) POLBHRH3LMNAALOX12EPHX1
SCHEMBL3359770 0.81 POLB (0.69) POLBHRH3LMNAALOX12EPHX1

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-4127673-A Combating fungi with new N-4-halobenzyl-N-cycloalkyl-N'-phenylureas and thioureas NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1978-11-28 US disclosed