SCHEMBL9876607

SCHEMBL9876607

Cc1ccoc1Cn1c(NC2CCNCC2)nc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 4/20 0.44
SOS1 Q07889 1/20 0.41
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CYP1A2 P05177 5/20 0.37
HSD17B10 Q99714 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
CLK4 Q9HAZ1 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
ENPP2 Q13822 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
FLT3 P36888 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
SCHEMBL9876975 0.86 NR4A2 (0.44) NR4A2KCNH2TP53SOS1BRD4
SCHEMBL9698202 0.83 NR4A2 (0.46) NR4A2KCNH2TP53SOS1HSD17B10
SCHEMBL9876634 0.82 NR4A2 (0.44) NR4A2KCNH2TP53SOS1BRD4
SCHEMBL9687668 0.82 NOS2 (0.51) HSD17B10LMNAALDH1A1
Noberastine SCHEMBL18424 0.81 NR4A2 (0.45) NR4A2KCNH2TP53SOS1BRD4
SCHEMBL11474096 0.80 NR4A2 (0.60) NR4A2KCNH2TP53SOS1LMNA
SCHEMBL9630067 0.80 NR4A2 (0.43) NR4A2KCNH2TP53SOS1HSD17B10
SCHEMBL9876866 0.79 NR4A2 (0.45) NR4A2KCNH2TP53SOS1CYP1A2
Hydrochloric Acid SCHEMBL9631482 0.79 NR4A2 (0.43) NR4A2KCNH2TP53SOS1HSD17B10
SCHEMBL10428775 0.79 NR4A2 (0.46) NR4A2KCNH2TP53CYP1A2HSD17B10

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
US-5006527-A Antihistamines, antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-09 US disclosed
US-4897401-A N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives useful in treating allergic diseases JANSSEN PHARMACEUTICAL N.V. (BE) 1990-01-30 US disclosed