SCHEMBL9877160

SCHEMBL9877160

O=NN(c1ccc(NC2CCCCC2)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
AR P10275 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
IP6K1 Q92551 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL9878434 0.84 MEN1 (0.39) LMNAGAAKDM4EMEN1ALDH1A1
SCHEMBL4479148 0.80 MAPT (0.46) MAPTLMNAPOLBGAAEPHX1
SCHEMBL4476002 0.78 MAPT (0.47) MAPTLMNAPOLBGAAEPHX1
SCHEMBL10610448 0.78 EPHX1 (0.47) MAPTLMNAPOLBGAAEPHX1
SCHEMBL4485714 0.77 KCNA3 (0.42) MAPTLMNAPOLBGAAEPHX1
SCHEMBL4487922 0.77 EPHX1 (0.44) MAPTLMNAPOLBGAAEPHX1
SCHEMBL78145 0.76 MAPT (0.61) MAPTLMNAPOLBGAAEPHX1
SCHEMBL11526941 0.76 MAPT (0.61) MAPTLMNAPOLBGAAEPHX1
SCHEMBL3400048 0.76 MAPT (0.61) MAPTLMNAPOLBGAAEPHX1
SCHEMBL10792506 0.76 CNR1 (0.44) POLBEPHX1KDM4EMEN1ALDH1A1

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
US-5001171-A Process, modified rubbers and rubber compositions BRIDGESTONE/FIRESTONE, INC. (US) 1991-03-19 US disclosed
EP-0319733-A2 Process, modified rubbers and rubber compositions THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-06-14 EP disclosed
US-4788229-A BLENDING MIXTURES OF UNCURED ELASTOMERS AND FILLERS CONTAINING ELASTOMER-FILLER LINKAGE PROMOTERS; TIRES; FRICTION RESISTANCE; REDUCED HYSTERESIS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1988-11-29 US disclosed